324 Publications
2021 | Journal Article | LibreCat-ID: 21946
@article{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2021, title={Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response}, volume={11}, DOI={10.3390/cryst11050542}, number={5542}, journal={Crystals}, publisher={MDPI}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2021} }
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2021 | Journal Article | LibreCat-ID: 22010
@article{Aldahhak_Hogan_Lindner_Appelfeller_Eisele_Schmidt_Dähne_Gerstmann_Franz_2021, title={Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy}, DOI={10.1103/physrevb.103.035303}, journal={Physical Review B}, author={Aldahhak, Hazem and Hogan, Conor and Lindner, Susi and Appelfeller, Stephan and Eisele, Holger and Schmidt, Wolf Gero and Dähne, Mario and Gerstmann, Uwe and Franz, Martin}, year={2021} }
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2021 | Journal Article | LibreCat-ID: 22008
@article{Plaickner_Speiser_Braun_Schmidt_Esser_Sanna_2021, title={Surface localized phonon modes at the Si(553)-Au nanowire system}, DOI={10.1103/physrevb.103.115441}, journal={Physical Review B}, author={Plaickner, Julian and Speiser, Eugen and Braun, Christian and Schmidt, Wolf Gero and Esser, Norbert and Sanna, Simone}, year={2021} }
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2021 | Journal Article | LibreCat-ID: 22009
@article{Ruiz Alvarado_Karmo_Runge_Schmidt_2021, title={InP and AlInP(001)(2 × 4) Surface Oxidation from Density Functional Theory}, DOI={10.1021/acsomega.0c06019}, journal={ACS Omega}, author={Ruiz Alvarado, Isaac Azahel and Karmo, Marsel and Runge, Erich and Schmidt, Wolf Gero}, year={2021}, pages={6297–6304} }
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2021 | Journal Article | LibreCat-ID: 22310
@article{Neufeld_Bocchini_Schmidt_2021, title={Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory}, DOI={10.1103/physrevmaterials.5.064407}, journal={Physical Review Materials}, author={Neufeld, Sergej and Bocchini, Adriana and Schmidt, Wolf Gero}, year={2021} }
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2021 | Journal Article | LibreCat-ID: 24975
@article{Franz_Chandola_Koy_Zielinski_Aldahhak_Das_Freitag_Gerstmann_Liebig_Hoffmann_et al._2021, title={Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon}, DOI={10.1038/s41557-021-00721-2}, journal={Nature Chemistry}, author={Franz, Martin and Chandola, Sandhya and Koy, Maximilian and Zielinski, Robert and Aldahhak, Hazem and Das, Mowpriya and Freitag, Matthias and Gerstmann, Uwe and Liebig, Denise and Hoffmann, Adrian Karl and et al.}, year={2021}, pages={828–835} }
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2020 | Journal Article | LibreCat-ID: 19193
@article{Niederhausen_MacQueen_Lips_Aldahhak_Schmidt_Gerstmann_2020, title={Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon}, DOI={10.1021/acs.langmuir.0c01154}, journal={Langmuir}, author={Niederhausen, Jens and MacQueen, Rowan W. and Lips, Klaus and Aldahhak, Hazem and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020}, pages={9099–9113} }
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2020 | Journal Article | LibreCat-ID: 17066
@article{Aldahhak_Powroźnik_Pander_Jakubik_Dias_Schmidt_Gerstmann_Krzywiecki_2020, title={Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures}, DOI={10.1021/acs.jpcc.9b11116}, number={124}, journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias, Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej}, year={2020}, pages={6090–6102} }
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2020 | Journal Article | LibreCat-ID: 19194
@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, DOI={10.1103/physrevresearch.2.022024}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }
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2020 | Journal Article | LibreCat-ID: 17067
@article{Speiser_Esser_Halbig_Geurts_Schmidt_Sanna_2020, title={Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures}, volume={75}, DOI={10.1016/j.surfrep.2020.100480}, number={1100480}, journal={Surface Science Reports}, author={Speiser, Eugen and Esser, Norbert and Halbig, Benedikt and Geurts, Jean and Schmidt, Wolf Gero and Sanna, Simone}, year={2020} }
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2020 | Journal Article | LibreCat-ID: 22011
@article{Meier_Braun_Hannappel_Schmidt_2020, title={Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations}, DOI={10.1002/pssb.202000463}, number={2000463}, journal={physica status solidi (b)}, author={Meier, Lukas and Braun, Christian and Hannappel, Thomas and Schmidt, Wolf Gero}, year={2020} }
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2020 | Journal Article | LibreCat-ID: 19190
@article{Schmidt_Kozub_Biktagirov_Eigner_Silberhorn_Schindlmayr_Schmidt_Gerstmann_2020, title={Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations}, volume={2}, DOI={10.1103/PhysRevResearch.2.043002}, number={4043002}, journal={Physical Review Research}, publisher={American Physical Society}, author={Schmidt, Falko and Kozub, Agnieszka L. and Biktagirov, Timur and Eigner, Christof and Silberhorn, Christine and Schindlmayr, Arno and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }
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2020 | Journal Article | LibreCat-ID: 17070
@article{Navickas_Giriūnas_Kalendra_Biktagirov_Gerstmann_Schmidt_Mączka_Pöppl_Banys_Šimėnas_2020, title={Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework}, volume={22}, DOI={10.1039/d0cp01612h}, journal={Physical Chemistry Chemical Physics}, author={Navickas, Marius and Giriūnas, Laisvydas and Kalendra, Vidmantas and Biktagirov, Timur and Gerstmann, Uwe and Schmidt, Wolf Gero and Mączka, Mirosław and Pöppl, Andreas and Banys, Jūras and Šimėnas, Mantas}, year={2020}, pages={8513–8521} }
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2020 | Journal Article | LibreCat-ID: 17068
@article{Braun_Neufeld_Gerstmann_Sanna_Plaickner_Speiser_Esser_Schmidt_2020, title={Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces}, volume={124}, DOI={10.1103/physrevlett.124.146802}, number={14}, journal={Physical Review Letters}, author={Braun, Christian and Neufeld, Sergej and Gerstmann, Uwe and Sanna, S. and Plaickner, J. and Speiser, E. and Esser, N. and Schmidt, Wolf Gero}, year={2020} }
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2020 | Journal Article | LibreCat-ID: 19189
@article{Badalov_Wilhelm_Schmidt_2020, title={Photocatalytic properties of graphene‐supported titania clusters from density‐functional theory}, DOI={10.1002/jcc.26363}, journal={Journal of Computational Chemistry}, author={Badalov, Sabuhi V. and Wilhelm, René and Schmidt, Wolf Gero}, year={2020}, pages={1921–1930} }
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2020 | Journal Article | LibreCat-ID: 17069
@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, volume={2}, DOI={10.1103/physrevresearch.2.022024}, number={2}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }
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2020 | Journal Article | LibreCat-ID: 19654
@article{Krenz_Gerstmann_Schmidt_2020, title={Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory}, DOI={10.1021/acsomega.0c03483}, journal={ACS Omega}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2020}, pages={24057–24063} }
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2020 | Journal Article | LibreCat-ID: 20682
@article{Bocchini_Eigner_Silberhorn_Schmidt_Gerstmann_2020, title={Understanding gray track formation in KTP: $\mathrmTi^3+$ centers studied from first principles}, volume={4}, DOI={10.1103/PhysRevMaterials.4.124402}, journal={Phys. Rev. Materials}, publisher={American Physical Society}, author={Bocchini, Adriana and Eigner, Christof and Silberhorn, Christine and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020}, pages={124402} }
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2019 | Journal Article | LibreCat-ID: 13429
@article{Bocchini_Neufeld_Gerstmann_Schmidt_2019, title={Oxygen and potassium vacancies in KTP calculated from first principles}, DOI={10.1088/1361-648x/ab295c}, number={385401}, journal={Journal of Physics: Condensed Matter}, author={Bocchini, Adriana and Neufeld, Sergej and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2019} }
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2019 | Journal Article | LibreCat-ID: 10014
@article{Schmidt_Riefer_Schmidt_Schindlmayr_Imlau_Dobener_Mengel_Chatterjee_Sanna_2019, title={Quasiparticle and excitonic effects in the optical response of KNbO3}, volume={3}, DOI={10.1103/PhysRevMaterials.3.054401}, number={5054401}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Schmidt, Falko and Riefer, Arthur and Schmidt, Wolf Gero and Schindlmayr, Arno and Imlau, Mirco and Dobener, Florian and Mengel, Nils and Chatterjee, Sangam and Sanna, Simone}, year={2019} }
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2019 | Journal Article | LibreCat-ID: 10015
@article{Dues_Schmidt_Sanna_2019, title={Water Splitting Reaction at Polar Lithium Niobate Surfaces}, DOI={10.1021/acsomega.8b03271}, journal={ACS Omega}, author={Dues, Christof and Schmidt, Wolf Gero and Sanna, Simone}, year={2019}, pages={3850–3859} }
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2019 | Journal Article | LibreCat-ID: 13401
@article{Nicholson_Puppin_Lücke_Gerstmann_Krenz_Schmidt_Rettig_Ernstorfer_Wolf_2019, title={Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy}, volume={99}, DOI={10.1103/physrevb.99.155107}, number={15}, journal={Physical Review B}, author={Nicholson, C. W. and Puppin, M. and Lücke, A. and Gerstmann, Uwe and Krenz, Marvin and Schmidt, Wolf Gero and Rettig, L. and Ernstorfer, R. and Wolf, M.}, year={2019} }
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2019 | Journal Article | LibreCat-ID: 13365
@article{Neufeld_Bocchini_Gerstmann_Schindlmayr_Schmidt_2019, title={Potassium titanyl phosphate (KTP) quasiparticle energies and optical response}, volume={2}, DOI={10.1088/2515-7639/ab29ba}, number={4045003}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Neufeld, Sergej and Bocchini, Adriana and Gerstmann, Uwe and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2019} }
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2018 | Journal Article | LibreCat-ID: 10019
@article{Aldahhak_Paszkiewicz_Rauls_Allegretti_Tebi_Papageorgiou_Zhang_Zhang_Lin_Paintner_et al._2018, title={Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)}, DOI={10.1002/chem.201705921}, journal={Chemistry - A European Journal}, author={Aldahhak, Hazem and Paszkiewicz, M. and Rauls, E. and Allegretti, F. and Tebi, S. and Papageorgiou, A. C. and Zhang, Y.-Q. and Zhang, L. and Lin, T. and Paintner, T. and et al.}, year={2018}, pages={6787–6797} }
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2018 | Journal Article | LibreCat-ID: 13405
@article{Müller_Karhan_Krack_Gerstmann_Schmidt_Bauer_Kühne_2018, title={Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes}, DOI={10.1002/jcc.25641}, journal={Journal of Computational Chemistry}, author={Müller, Patrick and Karhan, Kristof and Krack, Matthias and Gerstmann, Uwe and Schmidt, Wolf Gero and Bauer, Matthias and Kühne, Thomas D.}, year={2018}, pages={712–716} }
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2018 | Journal Article | LibreCat-ID: 17065
@article{Esser_Schmidt_2018, title={Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The Surface Dipole Contribution}, DOI={10.1002/pssb.201800314}, number={2561800314}, journal={physica status solidi (b)}, author={Esser, Norbert and Schmidt, Wolf Gero}, year={2018} }
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2018 | Journal Article | LibreCat-ID: 13406
@article{Mamiyev_Lichtenstein_Tegenkamp_Braun_Schmidt_Sanna_Pfnür_2018, title={Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation}, volume={2}, DOI={10.1103/physrevmaterials.2.066002}, number={6}, journal={Physical Review Materials}, author={Mamiyev, Z. and Lichtenstein, T. and Tegenkamp, C. and Braun, Christian and Schmidt, Wolf Gero and Sanna, S. and Pfnür, H.}, year={2018} }
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2018 | Journal Article | LibreCat-ID: 13413
@article{Seino_Sanna_Schmidt_2018, title={Temperature stabilizes rough Au/Ge(001) surface reconstructions}, volume={667}, DOI={10.1016/j.susc.2017.10.005}, journal={Surface Science}, author={Seino, Kaori and Sanna, Simone and Schmidt, Wolf Gero}, year={2018}, pages={101–104} }
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2018 | Journal Article | LibreCat-ID: 10016
@article{Paszkiewicz_Biktagirov_Aldahhak_Allegretti_Rauls_Schöfberger_Schmidt_Barth_Gerstmann_Klappenberger_2018, title={Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis}, DOI={10.1021/acs.jpclett.8b02525}, journal={The Journal of Physical Chemistry Letters}, author={Paszkiewicz, Mateusz and Biktagirov, Timur and Aldahhak, Hazem and Allegretti, Francesco and Rauls, Eva and Schöfberger, Wolfgang and Schmidt, Wolf Gero and Barth, Johannes V. and Gerstmann, Uwe and Klappenberger, Florian}, year={2018}, pages={6412–6420} }
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2018 | Journal Article | LibreCat-ID: 13407
@article{Naumova_Khakhulin_Rebarz_Rohrmüller_Dicke_Biednov_Britz_Espinoza_Grimm-Lebsanft_Kloz_et al._2018, title={Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(i)–disulfide complex}, DOI={10.1039/c7cp04880g}, journal={Physical Chemistry Chemical Physics}, author={Naumova, Maria and Khakhulin, Dmitry and Rebarz, Mateusz and Rohrmüller, Martin and Dicke, Benjamin and Biednov, Mykola and Britz, Alexander and Espinoza, Shirly and Grimm-Lebsanft, Benjamin and Kloz, Miroslav and et al.}, year={2018}, pages={6274–6286} }
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2018 | Journal Article | LibreCat-ID: 10012
@article{Esser_Schmidt_2018, title={Electric Field Induced Raman Scattering at the Sb-InP(110) Interface: The Surface Dipole Contribution}, DOI={10.1002/pssb.201800314}, number={1800314}, journal={physica status solidi (b)}, author={Esser, Norbert and Schmidt, Wolf Gero}, year={2018} }
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2018 | Journal Article | LibreCat-ID: 13403
@article{Biktagirov_Schmidt_Gerstmann_Yavkin_Orlinskii_Baranov_Dyakonov_Soltamov_2018, title={Polytypism driven zero-field splitting of silicon vacancies in 6H-SiC}, volume={98}, DOI={10.1103/physrevb.98.195204}, number={19}, journal={Physical Review B}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe and Yavkin, Boris and Orlinskii, Sergei and Baranov, Pavel and Dyakonov, Vladimir and Soltamov, Victor}, year={2018} }
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2018 | Journal Article | LibreCat-ID: 13410
@article{Friedrich_Schmidt_Schindlmayr_Sanna_2018, title={Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]}, volume={2}, DOI={10.1103/PhysRevMaterials.2.019902}, number={1019902}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2018} }
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2018 | Journal Article | LibreCat-ID: 10013
@article{Nicholson_Lücke_Schmidt_Puppin_Rettig_Ernstorfer_Wolf_2018, title={Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition}, DOI={10.1126/science.aar4183}, journal={Science}, author={Nicholson, C. W. and Lücke, A. and Schmidt, Wolf Gero and Puppin, M. and Rettig, L. and Ernstorfer, R. and Wolf, M.}, year={2018}, pages={821–825} }
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2018 | Journal Article | LibreCat-ID: 13404
@article{Braun_Gerstmann_Schmidt_2018, title={Spin pairing versus spin chains at Si(553)-Au surfaces}, volume={98}, DOI={10.1103/physrevb.98.121402}, number={12}, journal={Physical Review B}, author={Braun, Christian and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2018} }
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2018 | Journal Article | LibreCat-ID: 13409
@article{Biktagirov_Schmidt_Gerstmann_2018, title={Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy}, volume={97}, DOI={10.1103/physrevb.97.115135}, number={11}, journal={Physical Review B}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2018} }
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2018 | Journal Article | LibreCat-ID: 13411
@article{Halbig_Liebhaber_Bass_Geurts_Speiser_Räthel_Chandola_Esser_Krenz_Neufeld_et al._2018, title={Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction}, volume={97}, DOI={10.1103/physrevb.97.035412}, number={3}, journal={Physical Review B}, author={Halbig, B. and Liebhaber, M. and Bass, U. and Geurts, J. and Speiser, E. and Räthel, J. and Chandola, S. and Esser, N. and Krenz, Marvin and Neufeld, Sergej and et al.}, year={2018} }
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2018 | Journal Article | LibreCat-ID: 13430
@article{Lichtenstein_Mamiyev_Braun_Sanna_Schmidt_Tegenkamp_Pfnür_2018, title={Probing quasi-one-dimensional band structures by plasmon spectroscopy}, volume={97}, DOI={10.1103/physrevb.97.165421}, number={16}, journal={Physical Review B}, author={Lichtenstein, T. and Mamiyev, Z. and Braun, Christian and Sanna, S. and Schmidt, Wolf Gero and Tegenkamp, C. and Pfnür, H.}, year={2018} }
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2018 | Journal Article | LibreCat-ID: 10018
@article{Schmidt_Bühler_Heinrich_Allerbeck_Podzimski_Berghoff_Meier_Schmidt_Reichl_Wegscheider_et al._2018, title={Signatures of transient Wannier-Stark localization in bulk gallium arsenide}, volume={9}, DOI={10.1038/s41467-018-05229-x}, journal={Nature Communications}, author={Schmidt, Claudia and Bühler, J. and Heinrich, A.-C. and Allerbeck, J. and Podzimski, R. and Berghoff, Daniel and Meier, Torsten and Schmidt, Wolf Gero and Reichl, C. and Wegscheider, W. and et al.}, year={2018}, pages={2890} }
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2017 | Journal Article | LibreCat-ID: 13412
@article{Konieczna_Biller_Witte_Schmidt_Neuba_Wilhelm_2017, title={New pyridinium based ionic dyes for the hydrogen evolution reaction}, DOI={10.1016/j.tet.2017.11.053}, journal={Tetrahedron}, author={Konieczna, Dagny D. and Biller, Harry and Witte, Matthias and Schmidt, Wolf Gero and Neuba, Adam and Wilhelm, René}, year={2017}, pages={142–149} }
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2017 | Journal Article | LibreCat-ID: 13417
@article{Lücke_Gerstmann_Kühne_Schmidt_2017, title={Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition}, DOI={10.1002/jcc.24878}, journal={Journal of Computational Chemistry}, author={Lücke, Andreas and Gerstmann, Uwe and Kühne, Thomas D. and Schmidt, Wolf Gero}, year={2017}, pages={2276–2282} }
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2017 | Journal Article | LibreCat-ID: 13424
@article{Aldahhak_Paszkiewicz_Allegretti_Duncan_Tebi_Deimel_Casado Aguilar_Zhang_Papageorgiou_Koch_et al._2017, title={X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization}, volume={121}, DOI={10.1021/acs.jpcc.6b09935}, journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Paszkiewicz, M. and Allegretti, F. and Duncan, D. A. and Tebi, S. and Deimel, P. S. and Casado Aguilar, P. and Zhang, Y.-Q. and Papageorgiou, A. C. and Koch, R. and et al.}, year={2017}, pages={2192–2200} }
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2017 | Journal Article | LibreCat-ID: 10021
@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory}, volume={1}, DOI={10.1103/PhysRevMaterials.1.034401}, number={3034401}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 7481
@article{Riefer_Weber_Mund_Yakovlev_Bayer_Schindlmayr_Meier_Schmidt_2017, title={Zn–VI quasiparticle gaps and optical spectra from many-body calculations}, volume={29}, DOI={10.1088/1361-648x/aa6b2a}, number={21215702}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Riefer, Arthur and Weber, Nils and Mund, Johannes and Yakovlev, Dmitri R. and Bayer, Manfred and Schindlmayr, Arno and Meier, Cedrik and Schmidt, Wolf Gero}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 13418
@article{Sanna_Schmidt_2017, title={LiNbO3 surfaces from a microscopic perspective}, DOI={10.1088/1361-648x/aa818d}, number={413001}, journal={Journal of Physics: Condensed Matter}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 13420
@article{Nozaki_Schmidt_2017, title={Current density analysis of electron transport through molecular wires in open quantum systems}, volume={38}, DOI={10.1002/jcc.24812}, journal={Journal of Computational Chemistry}, author={Nozaki, Daijiro and Schmidt, Wolf Gero}, year={2017}, pages={1685–1692} }
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2017 | Journal Article | LibreCat-ID: 13425
@article{Rohrmüller_Schmidt_Gerstmann_2017, title={Electron paramagnetic resonance calculations for hydrogenated Si surfaces}, volume={95}, DOI={10.1103/physrevb.95.125310}, number={12}, journal={Physical Review B}, author={Rohrmüller, M. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 13414
@article{Riefer_Schmidt_2017, title={Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides}, volume={96}, DOI={10.1103/physrevb.96.235206}, number={23}, journal={Physical Review B}, author={Riefer, A. and Schmidt, Wolf Gero}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 13419
@article{Frigge_Hafke_Witte_Krenzer_Streubühr_Samad Syed_Mikšić Trontl_Avigo_Zhou_Ligges_et al._2017, title={Optically excited structural transition in atomic wires on surfaces at the quantum limit}, volume={544}, DOI={10.1038/nature21432}, journal={Nature}, author={Frigge, T. and Hafke, B. and Witte, T. and Krenzer, B. and Streubühr, C. and Samad Syed, A. and Mikšić Trontl, V. and Avigo, I. and Zhou, P. and Ligges, M. and et al.}, year={2017}, pages={207–211} }
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2017 | Journal Article | LibreCat-ID: 13426
@article{Edler_Miccoli_Stöckmann_Pfnür_Braun_Neufeld_Sanna_Schmidt_Tegenkamp_2017, title={Tuning the conductivity along atomic chains by selective chemisorption}, volume={95}, DOI={10.1103/physrevb.95.125409}, number={12}, journal={Physical Review B}, author={Edler, F. and Miccoli, I. and Stöckmann, J. P. and Pfnür, H. and Braun, Christian and Neufeld, Sergej and Sanna, S. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 10023
@article{Schmidt_Landmann_Rauls_Argiolas_Sanna_Schmidt_Schindlmayr_2017, title={Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory}, volume={2017}, DOI={10.1155/2017/3981317}, number={3981317}, journal={Advances in Materials Science and Engineering}, publisher={Hindawi}, author={Schmidt, Falko and Landmann, Marc and Rauls, Eva and Argiolas, Nicola and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 13415
@article{Braun_Hogan_Chandola_Esser_Sanna_Schmidt_2017, title={Si(775)-Au atomic chains: Geometry, optical properties, and spin order}, volume={1}, DOI={10.1103/physrevmaterials.1.055002}, number={5}, journal={Physical Review Materials}, author={Braun, Christian and Hogan, Conor and Chandola, Sandhya and Esser, Norbert and Sanna, Simone and Schmidt, Wolf Gero}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13422
@article{Witte_Rohrmüller_Gerstmann_Henkel_Schmidt_Herres-Pawlis_2017, title={[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus}, DOI={10.1002/jcc.24798}, journal={Journal of Computational Chemistry}, author={Witte, Matthias and Rohrmüller, Martin and Gerstmann, Uwe and Henkel, Gerald and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}, year={2017}, pages={1752–1761} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13427
@article{Nozaki_Lücke_Schmidt_2017, title={Molecular Orbital Rule for Quantum Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching Induced by Orbital Level Crossing}, DOI={10.1021/acs.jpclett.6b02989}, journal={The Journal of Physical Chemistry Letters}, author={Nozaki, Daijiro and Lücke, Andreas and Schmidt, Wolf Gero}, year={2017}, pages={727–732} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10020
@article{Landmann_Rauls_Schmidt_2017, title={Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites}, DOI={10.1103/physrevb.95.155310}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13423
@article{Tebi_Paszkiewicz_Aldahhak_Allegretti_Gonglach_Haas_Waser_Deimel_Aguilar_Zhang_et al._2017, title={On-Surface Site-Selective Cyclization of Corrole Radicals}, DOI={10.1021/acsnano.7b00766}, journal={ACS Nano}, author={Tebi, Stefano and Paszkiewicz, Mateusz and Aldahhak, Hazem and Allegretti, Francesco and Gonglach, Sabrina and Haas, Michael and Waser, Mario and Deimel, Peter S. and Aguilar, Pablo Casado and Zhang, Yi-Qi and et al.}, year={2017}, pages={3383–3391} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13416
@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory}, volume={1}, DOI={10.1103/PhysRevMaterials.1.054406}, number={5054406}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2017} }
LibreCat
| Files available
| DOI
| WoS
2016 | Journal Article | LibreCat-ID: 10026
@article{Rüsing_Sanna_Neufeld_Berth_Schmidt_Zrenner_Yu_Wang_Zhang_2016, title={Vibrational properties ofLiNb1−xTaxO3mixed crystals}, DOI={10.1103/physrevb.93.184305}, journal={Physical Review B}, author={Rüsing, M. and Sanna, S. and Neufeld, Sergej and Berth, Gerhard and Schmidt, Wolf Gero and Zrenner, Artur and Yu, H. and Wang, Y. and Zhang, H.}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13479
@article{Lücke_Ortmann_Panhans_Sanna_Rauls_Gerstmann_Schmidt_2016, title={Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles}, volume={120}, DOI={10.1021/acs.jpcb.6b03598}, journal={The Journal of Physical Chemistry B}, author={Lücke, Andreas and Ortmann, Frank and Panhans, Michel and Sanna, Simone and Rauls, Eva and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2016}, pages={5572–5580} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13481
@article{Jeckelmann_Sanna_Schmidt_Speiser_Esser_2016, title={Grand canonical Peierls transition in In/Si(111)}, volume={93}, DOI={10.1103/physrevb.93.241407}, number={24}, journal={Physical Review B}, author={Jeckelmann, Eric and Sanna, Simone and Schmidt, Wolf Gero and Speiser, Eugen and Esser, Norbert}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13816
@article{Yeom_Oh_Wippermann_Schmidt_2016, title={Impurity-Mediated Early Condensation of a Charge Density Wave in an Atomic Wire Array}, volume={10}, DOI={10.1021/acsnano.5b05925}, journal={ACS Nano}, author={Yeom, Han Woong and Oh, Deok Mahn and Wippermann, Stefan and Schmidt, Wolf Gero}, year={2016}, pages={810–814} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13475
@article{Timmer_Oelke_Dues_Sanna_Schmidt_Franz_Appelfeller_Dähne_Wollschläger_2016, title={Strain-induced quasi-one-dimensional rare-earth silicide structures on Si(111)}, volume={94}, DOI={10.1103/physrevb.94.205431}, number={20}, journal={Physical Review B}, author={Timmer, F. and Oelke, R. and Dues, C. and Sanna, S. and Schmidt, Wolf Gero and Franz, M. and Appelfeller, S. and Dähne, M. and Wollschläger, J.}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13476
@article{Vollmers_Müller_Hoffmann_Herres-Pawlis_Rohrmüller_Schmidt_Gerstmann_Bauer_2016, title={Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State}, volume={55}, DOI={10.1021/acs.inorgchem.6b01704}, journal={Inorganic Chemistry}, author={Vollmers, Nora Jenny and Müller, Patrick and Hoffmann, Alexander and Herres-Pawlis, Sonja and Rohrmüller, Martin and Schmidt, Wolf Gero and Gerstmann, Uwe and Bauer, Matthias}, year={2016}, pages={11694–11706} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13488
@article{Miccoli_Edler_Pfnür_Appelfeller_Dähne_Holtgrewe_Sanna_Schmidt_Tegenkamp_2016, title={Atomic size effects studied by transport in single silicide nanowires}, DOI={10.1103/physrevb.93.125412}, journal={Physical Review B}, author={Miccoli, I. and Edler, F. and Pfnür, H. and Appelfeller, S. and Dähne, M. and Holtgrewe, K. and Sanna, S. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13458
@article{Liebhaber_Halbig_Bass_Geurts_Neufeld_Sanna_Schmidt_Speiser_Räthel_Chandola_et al._2016, title={Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles calculations}, volume={94}, DOI={10.1103/physrevb.94.235304}, number={23}, journal={Physical Review B}, author={Liebhaber, M. and Halbig, B. and Bass, U. and Geurts, J. and Neufeld, Sergej and Sanna, S. and Schmidt, Wolf Gero and Speiser, E. and Räthel, J. and Chandola, S. and et al.}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13477
@article{Witte_Grimm-Lebsanft_Goos_Binder_Rübhausen_Bernard_Neuba_Gorelsky_Gerstmann_Henkel_et al._2016, title={Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2}, volume={37}, DOI={10.1002/jcc.24439}, number={23–24}, journal={Journal of Computational Chemistry}, author={Witte, Matthias and Grimm-Lebsanft, Benjamin and Goos, Arne and Binder, Stephan and Rübhausen, Michael and Bernard, Martin and Neuba, Adam and Gorelsky, Serge and Gerstmann, Uwe and Henkel, Gerald and et al.}, year={2016}, pages={2181–2192} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13491
@article{Schöfberger_Faschinger_Chattopadhyay_Bhakta_Mondal_Elemans_Müllegger_Tebi_Koch_Klappenberger_et al._2016, title={A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water}, DOI={10.1002/anie.201508404}, journal={Angewandte Chemie International Edition}, author={Schöfberger, Wolfgang and Faschinger, Felix and Chattopadhyay, Samir and Bhakta, Snehadri and Mondal, Biswajit and Elemans, Johannes A. A. W. and Müllegger, Stefan and Tebi, Stefano and Koch, Reinhold and Klappenberger, Florian and et al.}, year={2016}, pages={2350–2355} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 10024
@article{Riefer_Friedrich_Sanna_Gerstmann_Schindlmayr_Schmidt_2016, title={LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects}, volume={93}, DOI={10.1103/PhysRevB.93.075205}, number={7075205}, journal={Physical Review B}, publisher={American Physical Society}, author={Riefer, Arthur and Friedrich, Michael and Sanna, Simone and Gerstmann, Uwe and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2016} }
LibreCat
| Files available
| DOI
| WoS
2016 | Journal Article | LibreCat-ID: 13478
@article{Speiser_Esser_Wippermann_Schmidt_2016, title={Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires}, volume={94}, DOI={10.1103/physrevb.94.075417}, number={7}, journal={Physical Review B}, author={Speiser, E. and Esser, N. and Wippermann, S. and Schmidt, Wolf Gero}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13480
@article{Paulheim_Marquardt_Aldahhak_Rauls_Schmidt_Sokolowski_2016, title={Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces}, volume={10}, DOI={10.1021/acs.jpcc.6b01956}, journal={The Journal of Physical Chemistry C}, author={Paulheim, A. and Marquardt, C. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero and Sokolowski, M.}, year={2016}, pages={11926–11937} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13485
@article{Sanna_Dues_Schmidt_Timmer_Wollschläger_Franz_Appelfeller_Dähne_2016, title={Rare-earth silicide thin films on the Si(111) surface}, volume={93}, DOI={10.1103/physrevb.93.195407}, number={19}, journal={Physical Review B}, author={Sanna, S. and Dues, C. and Schmidt, Wolf Gero and Timmer, F. and Wollschläger, J. and Franz, M. and Appelfeller, S. and Dähne, M.}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13492
@article{Tebi_Aldahhak_Serrano_Schöfberger_Rauls_Schmidt_Koch_Müllegger_2016, title={Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)}, volume={27}, DOI={10.1088/0957-4484/27/2/025704}, number={025704}, journal={Nanotechnology}, author={Tebi, Stefano and Aldahhak, Hazem and Serrano, Giulia and Schöfberger, Wolfgang and Rauls, Eva and Schmidt, Wolf Gero and Koch, Reinhold and Müllegger, Stefan}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13815
@article{Paulheim_Marquardt_Sokolowski_Hochheim_Bredow_Aldahhak_Rauls_Schmidt_2016, title={Surface induced vibrational modes in the fluorescence spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces}, volume={18}, DOI={10.1039/c6cp05661j}, journal={Physical Chemistry Chemical Physics}, author={Paulheim, A. and Marquardt, C. and Sokolowski, M. and Hochheim, M. and Bredow, T. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2016}, pages={32891–32902} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 10025
@article{Friedrich_Schindlmayr_Schmidt_Sanna_2016, title={LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles}, volume={253}, DOI={10.1002/pssb.201552576}, number={4}, journal={Physica Status Solidi B}, publisher={Wiley-VCH}, author={Friedrich, Michael and Schindlmayr, Arno and Schmidt, Wolf Gero and Sanna, Simone}, year={2016}, pages={683–689} }
LibreCat
| Files available
| DOI
| WoS
2015 | Journal Article | LibreCat-ID: 10033
@article{Sanna_Dues_Schmidt_2015, title={Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles}, DOI={10.1016/j.commatsci.2015.03.025}, journal={Computational Materials Science}, author={Sanna, S. and Dues, C. and Schmidt, Wolf Gero}, year={2015}, pages={145–150} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13493
@article{Müllegger_Rauls_Gerstmann_Tebi_Serrano_Wiespointner-Baumgarthuber_Schmidt_Koch_2015, title={Mechanism for nuclear and electron spin excitation by radio frequency current}, volume={92}, DOI={10.1103/physrevb.92.220418}, number={22}, journal={Physical Review B}, author={Müllegger, Stefan and Rauls, Eva and Gerstmann, Uwe and Tebi, Stefano and Serrano, Giulia and Wiespointner-Baumgarthuber, Stefan and Schmidt, Wolf Gero and Koch, Reinhold}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13498
@article{Rohrmüller_Hoffmann_Thierfelder_Herres-Pawlis_Schmidt_2015, title={The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†}, volume={36}, DOI={10.1002/jcc.23983}, number={21–22}, journal={Journal of Computational Chemistry}, author={Rohrmüller, Martin and Hoffmann, Alexander and Thierfelder, Christian and Herres-Pawlis, Sonja and Schmidt, Wolf Gero}, year={2015}, pages={1672–1685} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13506
@article{Sanson_Zaltron_Argiolas_Sada_Bazzan_Schmidt_Sanna_2015, title={Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals}, volume={91}, DOI={10.1103/physrevb.91.094109}, journal={Physical Review B}, author={Sanson, A. and Zaltron, A. and Argiolas, N. and Sada, C. and Bazzan, M. and Schmidt, Wolf Gero and Sanna, S.}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10027
@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane: Atomic structure, surface bands, and optical response}, DOI={10.1103/physrevb.91.035302}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13494
@article{Aldahhak_Schmidt_Rauls_2015, title={Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces}, DOI={10.1016/j.susc.2015.01.013}, journal={Surface Science}, author={Aldahhak, Hazem and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={278–281} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13499
@article{Thissen_Fuchs_Roodenko_Peixoto_Batchelor_Smith_Schmidt_Chabal_2015, title={Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol}, volume={119}, DOI={10.1021/acs.jpcc.5b03816}, journal={The Journal of Physical Chemistry C}, author={Thissen, Peter and Fuchs, Ehud and Roodenko, Katy and Peixoto, Tatiana and Batchelor, Ben and Smith, Dennis and Schmidt, Wolf Gero and Chabal, Yves}, year={2015}, pages={16947–16953} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13502
@article{Klein_Vollmers_Gerstmann_Zahl_Lükermann_Jnawali_Pfnür_Tegenkamp_Sutter_Schmidt_et al._2015, title={Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films}, volume={91}, DOI={10.1103/physrevb.91.195441}, number={19}, journal={Physical Review B}, author={Klein, C. and Vollmers, N. J. and Gerstmann, Uwe and Zahl, P. and Lükermann, D. and Jnawali, G. and Pfnür, H. and Tegenkamp, C. and Sutter, P. and Schmidt, Wolf Gero and et al.}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13507
@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane: Atomic structure, surface bands, and optical response}, volume={91}, DOI={10.1103/physrevb.91.035302}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13495
@article{Aldahhak_Rauls_Schmidt_2015, title={Diindenoperylene adsorption on Cu(111) studied with density-functional theory}, DOI={10.1016/j.susc.2015.03.007}, journal={Surface Science}, author={Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2015}, pages={260–265} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13818
@article{Neuba_Rohrmüller_Hölscher_Schmidt_Henkel_2015, title={A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry}, volume={430}, DOI={10.1016/j.ica.2015.03.015}, journal={Inorganica Chimica Acta}, author={Neuba, Adam and Rohrmüller, Martin and Hölscher, Rebecca and Schmidt, Wolf Gero and Henkel, Gerald}, year={2015}, pages={225–238} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10030
@article{Friedrich_Riefer_Sanna_Schmidt_Schindlmayr_2015, title={Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory}, volume={27}, DOI={10.1088/0953-8984/27/38/385402}, number={38385402}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Friedrich, Michael and Riefer, Arthur and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2015} }
LibreCat
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2015 | Journal Article | LibreCat-ID: 10029
@article{Braun_Sanna_Schmidt_2015, title={Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces}, DOI={10.1021/acs.jpcc.5b00894}, journal={The Journal of Physical Chemistry C}, author={Braun, Christian and Sanna, Simone and Schmidt, Wolf Gero}, year={2015}, pages={9342–9346} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10031
@article{Li_Schmidt_Sanna_2015, title={Defect complexes in congruentLiNbO3and their optical signatures}, DOI={10.1103/physrevb.91.174106}, journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero and Sanna, Simone}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13496
@article{Edler_Miccoli_Demuth_Pfnür_Wippermann_Lücke_Schmidt_Tegenkamp_2015, title={Interwire coupling forIn(4×1)/Si(111) probed by surface transport}, volume={92}, DOI={10.1103/physrevb.92.085426}, number={8}, journal={Physical Review B}, author={Edler, F. and Miccoli, I. and Demuth, S. and Pfnür, H. and Wippermann, S. and Lücke, A. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10032
@article{Sanna_Neufeld_Rüsing_Berth_Zrenner_Schmidt_2015, title={Raman scattering efficiency inLiTaO3andLiNbO3crystals}, DOI={10.1103/physrevb.91.224302}, journal={Physical Review B}, author={Sanna, Simone and Neufeld, Sergej and Rüsing, M. and Berth, Gerhard and Zrenner, Artur and Schmidt, Wolf Gero}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13497
@article{Baghbanpourasl_Schmidt_Denk_Cobet_Hohage_Zeppenfeld_Hingerl_2015, title={Water adsorbate influence on the Cu(110) surface optical response}, volume={641}, DOI={10.1016/j.susc.2015.07.020}, journal={Surface Science}, author={Baghbanpourasl, Amirreza and Schmidt, Wolf Gero and Denk, Mariella and Cobet, Christoph and Hohage, Michael and Zeppenfeld, Peter and Hingerl, Kurt}, year={2015}, pages={231–236} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13500
@article{Lücke_Schmidt_Rauls_Ortmann_Gerstmann_2015, title={Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT}, volume={119}, DOI={10.1021/acs.jpcb.5b03615}, journal={The Journal of Physical Chemistry B}, author={Lücke, A. and Schmidt, Wolf Gero and Rauls, E. and Ortmann, F. and Gerstmann, Uwe}, year={2015}, pages={6481–6491} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13505
@article{Aldahhak_Matencio_Barrena_Ocal_Schmidt_Rauls_2015, title={Structure formation in diindenoperylene thin films on copper(111)}, volume={17}, DOI={10.1039/c4cp05271d}, journal={Physical Chemistry Chemical Physics}, author={Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={8776–8783} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13513
@article{Gerstmann_Vollmers_Lücke_Babilon_Schmidt_2014, title={Rashba splitting and relativistic energy shifts in In/Si(111) nanowires}, volume={89}, DOI={10.1103/physrevb.89.165431}, number={16}, journal={Physical Review B}, author={Gerstmann, Uwe and Vollmers, N. J. and Lücke, A. and Babilon, M. and Schmidt, Wolf Gero}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13514
@article{Li_Schmidt_Sanna_2014, title={IntrinsicLiNbO3point defects from hybrid density functional calculations}, volume={89}, DOI={10.1103/physrevb.89.094111}, number={9}, journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero and Sanna, S.}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 10035
@article{Li_Sanna_Schmidt_2014, title={Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model}, DOI={10.1063/1.4883737}, number={234113}, journal={The Journal of Chemical Physics}, author={Li, Yanlu and Sanna, Simone and Schmidt, Wolf Gero}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13508
@article{Guo_Paulheim_Sokolowski_Aldahhak_Rauls_Schmidt_2014, title={Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface}, volume={118}, DOI={10.1021/jp509663s}, journal={The Journal of Physical Chemistry C}, author={Guo, Q. and Paulheim, A. and Sokolowski, M. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2014}, pages={29911–29918} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13510
@article{Hoffmann_Rohrmüller_Jesser_dos Santos Vieira_Schmidt_Herres-Pawlis_2014, title={Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)}, volume={35}, DOI={10.1002/jcc.23740}, number={29–30}, journal={Journal of Computational Chemistry}, author={Hoffmann, Alexander and Rohrmüller, Martin and Jesser, Anton and dos Santos Vieira, Ines and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}, year={2014}, pages={2146–2161} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13515
@article{Sanna_Hölscher_Schmidt_2014, title={Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge}, DOI={10.1016/j.apsusc.2014.01.104}, journal={Applied Surface Science}, author={Sanna, S. and Hölscher, R. and Schmidt, Wolf Gero}, year={2014}, pages={70–78} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 10036
@article{Hölscher_Schmidt_Sanna_2014, title={Modeling LiNbO3 Surfaces at Ambient Conditions}, DOI={10.1021/jp502936f}, journal={The Journal of Physical Chemistry C}, author={Hölscher, Rebecca and Schmidt, Wolf Gero and Sanna, Simone}, year={2014}, pages={10213–10220} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13509
@article{Oh_Wippermann_Schmidt_Yeom_2014, title={Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations}, volume={90}, DOI={10.1103/physrevb.90.155432}, number={15}, journal={Physical Review B}, author={Oh, Deok Mahn and Wippermann, S. and Schmidt, Wolf Gero and Yeom, Han Woong}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13511
@article{Landmann_Köhler_Rauls_Frauenheim_Schmidt_2014, title={The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides}, volume={26}, DOI={10.1088/0953-8984/26/25/253201}, number={253201}, journal={Journal of Physics: Condensed Matter}, author={Landmann, M and Köhler, T and Rauls, E and Frauenheim, T and Schmidt, Wolf Gero}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13516
@article{Sanna_Schmidt_Rode_Klassen_Kühnle_2014, title={Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory}, volume={89}, DOI={10.1103/physrevb.89.075403}, number={7}, journal={Physical Review B}, author={Sanna, S. and Schmidt, Wolf Gero and Rode, S. and Klassen, S. and Kühnle, A.}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13512
@article{Sanna_Schmidt_Thissen_2014, title={Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)}, volume={118}, DOI={10.1021/jp500170t}, journal={The Journal of Physical Chemistry C}, author={Sanna, Simone and Schmidt, Wolf Gero and Thissen, Peter}, year={2014}, pages={8007–8013} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13518
@article{Frigge_Wall_Krenzer_Wippermann_Sanna_Klasing_Hanisch-Blicharski_Kammler_Schmidt_Horn-von Hoegen_2013, title={Friggeet al.Reply:}, volume={111}, DOI={10.1103/physrevlett.111.149602}, journal={Physical Review Letters}, author={Frigge, T. and Wall, S. and Krenzer, B. and Wippermann, St. and Sanna, S. and Klasing, F. and Hanisch-Blicharski, A. and Kammler, M. and Schmidt, Wolf Gero and Horn-von Hoegen, M.}, year={2013}, pages={149602} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13520
@article{Sanna_Riefer_Neufeld_Schmidt_Berth_Rüsing_Widhalm_Zrenner_2013, title={Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals}, volume={447}, DOI={10.1080/00150193.2013.821893}, journal={Ferroelectrics}, author={Sanna, S. and Riefer, A. and Neufeld, Sergej and Schmidt, Wolf Gero and Berth, Gerhard and Rüsing, M. and Widhalm, A. and Zrenner, Artur}, year={2013}, pages={63–68} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13525
@article{Riefer_Sanna_Schindlmayr_Schmidt_2013, title={Optical response of stoichiometric and congruent lithium niobate from first-principles calculations}, volume={87}, DOI={10.1103/PhysRevB.87.195208}, number={19195208}, journal={Physical Review B}, publisher={American Physical Society}, author={Riefer, Arthur and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2013} }
LibreCat
| Files available
| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 13521
@article{Sanna_Rode_Hölscher_Klassen_Marutschke_Kobayashi_Yamada_Schmidt_Kühnle_2013, title={Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces}, volume={88}, DOI={10.1103/physrevb.88.115422}, journal={Physical Review B}, author={Sanna, S. and Rode, S. and Hölscher, R. and Klassen, S. and Marutschke, C. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero and Kühnle, A.}, year={2013} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13526
@article{Eberhard_Stoll_Brockhinke_Neumann_Stammler_Riefer_Rauls_Schmidt_Mattay_2013, title={Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview}, volume={15}, DOI={10.1039/c2ce26388b}, number={214225}, journal={CrystEngComm}, author={Eberhard, Jens and Stoll, Ion and Brockhinke, Regina and Neumann, Beate and Stammler, Hans-Georg and Riefer, Arthur and Rauls, Eva and Schmidt, Wolf Gero and Mattay, Jochen}, year={2013} }
LibreCat
| DOI
2013 | Book Chapter | LibreCat-ID: 18475
@inbook{Riefer_Rohrmüller_Landmann_Sanna_Rauls_Vollmers_Hölscher_Witte_Li_Gerstmann_et al._2013, place={Cham}, series={Transactions of the High Performance Computing Center, Stuttgart}, title={Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations}, DOI={10.1007/978-3-319-02165-2_8}, booktitle={High Performance Computing in Science and Engineering ‘13}, publisher={Springer}, author={Riefer, Arthur and Rohrmüller, Martin and Landmann, Marc and Sanna, Simone and Rauls, Eva and Vollmers, Nora Jenny and Hölscher, Rebecca and Witte, Matthias and Li, Yanlu and Gerstmann, Uwe and et al.}, editor={Nagel, Wolfgang E. and Kröner, Dietmar H. and Resch, Michael M.Editors}, year={2013}, pages={93–104}, collection={Transactions of the High Performance Computing Center, Stuttgart} }
LibreCat
| Files available
| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 13522
@article{Aldahhak_Schmidt_Rauls_2013, title={Adsorption of PTCDA on NaCl(100) and KCl(100)}, volume={617}, DOI={10.1016/j.susc.2013.08.003}, journal={Surface Science}, author={Aldahhak, Hazem and Schmidt, Wolf Gero and Rauls, E.}, year={2013}, pages={242–248} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13527
@article{Rohrmüller_Herres-Pawlis_Witte_Schmidt_2013, title={Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory}, volume={34}, DOI={10.1002/jcc.23230}, journal={Journal of Computational Chemistry}, author={Rohrmüller, M. and Herres-Pawlis, S. and Witte, M. and Schmidt, Wolf Gero}, year={2013}, pages={1035–1045} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13523
@article{Longo_Cho_Schmidt_Chabal_Thissen_2013, title={Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations}, volume={23}, DOI={10.1002/adfm.201202808}, journal={Advanced Functional Materials}, author={Longo, Roberto C. and Cho, Kyeongjae and Schmidt, Wolf Gero and Chabal, Yves J. and Thissen, Peter}, year={2013}, pages={3471–3477} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13528
@article{George_Behrends_Schnegg_Schulze_Fehr_Korte_Rech_Lips_Rohrmüller_Rauls_et al._2013, title={Atomic Structure of Interface States in Silicon Heterojunction Solar Cells}, volume={110}, DOI={10.1103/physrevlett.110.136803}, number={13}, journal={Physical Review Letters}, author={George, B. M. and Behrends, J. and Schnegg, A. and Schulze, T. F. and Fehr, M. and Korte, L. and Rech, B. and Lips, K. and Rohrmüller, M. and Rauls, E. and et al.}, year={2013} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13819
@article{Riefer_Sanna_Schmidt_2013, title={LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations}, volume={447}, DOI={10.1080/00150193.2013.821904}, journal={Ferroelectrics}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero}, year={2013}, pages={78–85} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13517
@article{Jesser_Rohrmüller_Schmidt_Herres-Pawlis_2013, title={Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†}, volume={35}, DOI={10.1002/jcc.23449}, number={1–2}, journal={Journal of Computational Chemistry}, author={Jesser, Anton and Rohrmüller, Martin and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}, year={2013}, pages={1–17} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13524
@article{Landmann_Rauls_Schmidt_Röppischer_Cobet_Esser_Schupp_As_Feneberg_Goldhahn_2013, title={Transition energies and direct-indirect band gap crossing in zinc-blende AlxGa1−xN}, volume={87}, DOI={10.1103/physrevb.87.195210}, number={19}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Röppischer, Marcus and Cobet, Christoph and Esser, Norbert and Schupp, Thorsten and As, Donat J. and Feneberg, Martin and Goldhahn, Rüdiger}, year={2013} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13538
@article{Riefer_Sanna_Schmidt_2012, title={Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces}, volume={86}, DOI={10.1103/physrevb.86.125410}, number={12}, journal={Physical Review B}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero}, year={2012} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13545
@article{Landmann_Rauls_Schmidt_2012, title={The electronic structure and optical response of rutile, anatase and brookite TiO2}, volume={24}, DOI={10.1088/0953-8984/24/19/195503}, number={195503}, journal={Journal of Physics: Condensed Matter}, author={Landmann, M and Rauls, E and Schmidt, Wolf Gero}, year={2012} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13534
@article{Wall_Krenzer_Wippermann_Sanna_Klasing_Hanisch-Blicharski_Kammler_Schmidt_Horn-von Hoegen_2012, title={Atomistic Picture of Charge Density Wave Formation at Surfaces}, volume={109}, DOI={10.1103/physrevlett.109.186101}, number={18}, journal={Physical Review Letters}, author={Wall, Simone and Krenzer, Boris and Wippermann, Stefan and Sanna, Simone and Klasing, Friedrich and Hanisch-Blicharski, Anja and Kammler, Martin and Schmidt, Wolf Gero and Horn-von Hoegen, Michael}, year={2012} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13539
@article{Rode_Hölscher_Sanna_Klassen_Kobayashi_Yamada_Schmidt_Kühnle_2012, title={Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy}, volume={86}, DOI={10.1103/physrevb.86.075468}, number={7}, journal={Physical Review B}, author={Rode, S. and Hölscher, R. and Sanna, S. and Klassen, S. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero and Kühnle, A.}, year={2012} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13541
@article{Landmann_Köhler_Köppen_Rauls_Frauenheim_Schmidt_2012, title={Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2}, volume={86}, DOI={10.1103/physrevb.86.064201}, number={6}, journal={Physical Review B}, author={Landmann, M. and Köhler, T. and Köppen, S. and Rauls, E. and Frauenheim, T. and Schmidt, Wolf Gero}, year={2012} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13546
@article{Riefer_Rauls_Schmidt_Eberhard_Stoll_Mattay_2012, title={2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response}, volume={85}, DOI={10.1103/physrevb.85.165202}, number={16}, journal={Physical Review B}, author={Riefer, A. and Rauls, E. and Schmidt, Wolf Gero and Eberhard, J. and Stoll, I. and Mattay, J.}, year={2012} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13560
@article{Hölscher_Sanna_Schmidt_2012, title={Adsorption of OH and H at the LiNbO3(0001) surface}, volume={9}, DOI={10.1002/pssc.201100534}, number={6}, journal={physica status solidi (c)}, author={Hölscher, R. and Sanna, S. and Schmidt, Wolf Gero}, year={2012}, pages={1361–1365} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13820
@article{Schmidt_Wippermann_Sanna_Babilon_Vollmers_Gerstmann_2012, title={In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition}, volume={249}, DOI={10.1002/pssb.201100457}, number={2}, journal={physica status solidi (b)}, author={Schmidt, Wolf Gero and Wippermann, S. and Sanna, S. and Babilon, M. and Vollmers, N. J. and Gerstmann, Uwe}, year={2012}, pages={343–359} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13535
@article{Sanna_Schmidt_2012, title={Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics}, volume={59}, DOI={10.1109/tuffc.2012.2408}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control}, author={Sanna, S. and Schmidt, Wolf Gero}, year={2012}, pages={1925–1928} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13542
@article{Thissen_Peixoto_Longo_Peng_Schmidt_Cho_Chabal_2012, title={Activation of Surface Hydroxyl Groups by Modification of H-Terminated Si(111) Surfaces}, volume={134}, DOI={10.1021/ja300270w}, journal={Journal of the American Chemical Society}, author={Thissen, Peter and Peixoto, Tatiana and Longo, Roberto C. and Peng, Weina and Schmidt, Wolf Gero and Cho, Kyeongjae and Chabal, Yves J.}, year={2012}, pages={8869–8874} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13821
@article{Zirkelbach_Stritzker_Nordlund_Schmidt_Rauls_Lindner_2012, title={First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon}, volume={9}, DOI={10.1002/pssc.201200198}, number={10–11}, journal={physica status solidi (c)}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Schmidt, Wolf Gero and Rauls, E. and Lindner, J. K. N.}, year={2012}, pages={1968–1973} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13531
@article{Schmidt_Breuer_Wippermann_Schmidt_Witte_2012, title={Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals}, volume={116}, DOI={10.1021/jp307316r}, journal={The Journal of Physical Chemistry C}, author={Schmidt, Christian and Breuer, Tobias and Wippermann, Stefan and Schmidt, Wolf Gero and Witte, Gregor}, year={2012}, pages={24098–24106} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13536
@article{Riefer_Sanna_Gavrilenko_Schmidt_2012, title={Linear and nonlinear optical response of LiNbO3 calculated from first principles}, volume={59}, DOI={10.1109/tuffc.2012.2409}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control}, author={Riefer, Arthur and Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2012}, pages={1929–1933} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13543
@article{Rauls_Schmidt_Pertram_Wandelt_2012, title={Interplay between metal-free phthalocyanine molecules and Au(110) substrates}, volume={606}, DOI={10.1016/j.susc.2012.03.010}, journal={Surface Science}, author={Rauls, E. and Schmidt, Wolf Gero and Pertram, T. and Wandelt, K.}, year={2012}, pages={1120–1125} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13548
@article{Thissen_Thissen_Wippermann_Chabal_Grundmeier_Schmidt_2012, title={pH-dependent structure and energetics of H2O/MgO(100)}, volume={606}, DOI={10.1016/j.susc.2012.01.018}, journal={Surface Science}, author={Thissen, Peter and Thissen, Vera and Wippermann, Stefan and Chabal, Yves J. and Grundmeier, Guido and Schmidt, Wolf Gero}, year={2012}, pages={902–907} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13570
@article{Müllegger_Rashidi_Lengauer_Rauls_Schmidt_Knör_Schöfberger_Koch_2011, title={Asymmetric saddling of single porphyrin molecules on Au(111)}, volume={83}, DOI={10.1103/physrevb.83.165416}, number={16}, journal={Physical Review B}, author={Müllegger, S. and Rashidi, M. and Lengauer, T. and Rauls, E. and Schmidt, Wolf Gero and Knör, G. and Schöfberger, W. and Koch, R.}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13563
@article{Schmidt_Babilon_Thierfelder_Sanna_Wippermann_2011, title={Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array}, volume={84}, DOI={10.1103/physrevb.84.115416}, number={11}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Babilon, M. and Thierfelder, C. and Sanna, S. and Wippermann, S.}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13568
@article{Mietze_Landmann_Rauls_Machhadani_Sakr_Tchernycheva_Julien_Schmidt_Lischka_As_2011, title={Band offsets in cubic GaN/AlN superlattices}, volume={83}, DOI={10.1103/physrevb.83.195301}, number={19}, journal={Physical Review B}, author={Mietze, C. and Landmann, M. and Rauls, E. and Machhadani, H. and Sakr, S. and Tchernycheva, M. and Julien, F. H. and Schmidt, Wolf Gero and Lischka, K. and As, Donat Josef}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13823
@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Vibrational properties of the LiNbO3 z-surfaces}, volume={58}, DOI={10.1109/tuffc.2011.2012}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control}, author={Sanna, S. and Berth, G. and Hahn, W. and Widhalm, A. and Zrenner, A. and Schmidt, Wolf Gero}, year={2011}, pages={1751–1756} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13564
@article{dos Santos_Schmidt_Rauls_2011, title={Group-VII point defects in ZnSe}, volume={84}, DOI={10.1103/physrevb.84.115201}, number={11}, journal={Physical Review B}, author={dos Santos, L. S. and Schmidt, Wolf Gero and Rauls, E.}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13569
@article{Favero_Ferraz_Schmidt_Miotto_2011, title={Driving forces for the adsorption of cyclopentene on InP(001)}, volume={605}, DOI={10.1016/j.susc.2011.01.027}, journal={Surface Science}, author={Favero, P.P. and Ferraz, A.C. and Schmidt, Wolf Gero and Miotto, R.}, year={2011}, pages={824–830} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13571
@article{Thierfelder_Witte_Blankenburg_Rauls_Schmidt_2011, title={Methane adsorption on graphene from first principles including dispersion interaction}, volume={605}, DOI={10.1016/j.susc.2011.01.012}, journal={Surface Science}, author={Thierfelder, C. and Witte, M. and Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2011}, pages={746–749} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13824
@article{Zirkelbach_Stritzker_Nordlund_Lindner_Schmidt_Rauls_2011, title={Combined ab initio and classical potential simulation study on silicon carbide precipitation in silicon}, volume={84}, DOI={10.1103/physrevb.84.064126}, number={6}, journal={Physical Review B}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Lindner, J. K. N. and Schmidt, Wolf Gero and Rauls, E.}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13565
@article{Müllegger_Schöfberger_Rashidi_Lengauer_Klappenberger_Diller_Kara_Barth_Rauls_Schmidt_et al._2011, title={Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System}, volume={5}, DOI={10.1021/nn201708c}, number={8}, journal={ACS Nano}, author={Müllegger, Stefan and Schöfberger, Wolfgang and Rashidi, Mohammad and Lengauer, Thomas and Klappenberger, Florian and Diller, Katharina and Kara, Kamuran and Barth, Johannes V. and Rauls, Eva and Schmidt, Wolf Gero and et al.}, year={2011}, pages={6480–6486} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13825
@article{Sanna_Thierfelder_Wippermann_Sinha_Schmidt_2011, title={Barium titanate ground- and excited-state properties from first-principles calculations}, volume={83}, DOI={10.1103/physrevb.83.054112}, number={5}, journal={Physical Review B}, author={Sanna, S. and Thierfelder, C. and Wippermann, S. and Sinha, T. P. and Schmidt, Wolf Gero}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13561
@article{Berth_Hahn_Wiedemeier_Zrenner_Sanna_Schmidt_2011, title={Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy}, volume={420}, DOI={10.1080/00150193.2011.594774}, journal={Ferroelectrics}, author={Berth, Gerhard and Hahn, Wjatscheslaw and Wiedemeier, Volker and Zrenner, Artur and Sanna, Simone and Schmidt, Wolf Gero}, year={2011}, pages={44–48} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13566
@article{Hoehne_Lu_Stegner_Stutzmann_Brandt_Rohrmüller_Schmidt_Gerstmann_2011, title={Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures}, volume={106}, DOI={10.1103/physrevlett.106.196101}, number={19}, journal={Physical Review Letters}, author={Hoehne, Felix and Lu, Jinming and Stegner, Andre R. and Stutzmann, Martin and Brandt, Martin S. and Rohrmüller, Martin and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13567
@article{Konopka_Greulich-Weber_Dierolf_Jiang_Gerstmann_Rauls_Sanna_Schmidt_2011, title={Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors}, volume={33}, DOI={10.1016/j.optmat.2010.12.005}, journal={Optical Materials}, author={Konopka, A. and Greulich-Weber, S. and Dierolf, V. and Jiang, H.X. and Gerstmann, Uwe and Rauls, E. and Sanna, S. and Schmidt, Wolf Gero}, year={2011}, pages={1041–1044} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13822
@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Localised Phonon Modes at LiNbO3(0001) Surfaces}, volume={419}, DOI={10.1080/00150193.2011.594396}, journal={Ferroelectrics}, author={Sanna, S. and Berth, G. and Hahn, W. and Widhalm, A. and Zrenner, A. and Schmidt, Wolf Gero}, year={2011}, pages={1–8} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13828
@article{Zirkelbach_Stritzker_Nordlund_Lindner_Schmidt_Rauls_2010, title={Defects in carbon implanted silicon calculated by classical potentials and first-principles methods}, volume={82}, DOI={10.1103/physrevb.82.094110}, number={9}, journal={Physical Review B}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Lindner, J. K. N. and Schmidt, Wolf Gero and Rauls, E.}, year={2010} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13830
@article{Rauls_Wiebe_Schmidt_2010, title={Understanding the cubic AlN growth plane from first principles}, volume={312}, DOI={10.1016/j.jcrysgro.2010.07.027}, journal={Journal of Crystal Growth}, author={Rauls, E. and Wiebe, J. and Schmidt, Wolf Gero}, year={2010}, pages={2892–2895} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13835
@article{Scholle_Greulich-Weber_As_Mietze_Son_Hemmingsson_Monemar_Janzén_Gerstmann_Sanna_et al._2010, title={Magnetic characterization of conductance electrons in GaN}, volume={247}, DOI={10.1002/pssb.200983582}, number={7}, journal={physica status solidi (b)}, author={Scholle, A. and Greulich-Weber, S. and As, Donat Josef and Mietze, Ch. and Son, N. T. and Hemmingsson, C. and Monemar, B. and Janzén, E. and Gerstmann, Uwe and Sanna, S. and et al.}, year={2010}, pages={1728–1731} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13842
@article{Sanna_Gavrilenko_Schmidt_2010, title={Ab initio investigation of the LiNbO3(0001) surface}, volume={7}, DOI={10.1002/pssc.200982456}, number={2}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2010}, pages={145–148} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13829
@article{Krivosheeva_Sanna_Schmidt_2010, title={First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2)}, volume={49}, DOI={10.1016/j.commatsci.2010.06.043}, number={4}, journal={Computational Materials Science}, author={Krivosheeva, A.V. and Sanna, S. and Schmidt, Wolf Gero}, year={2010}, pages={895–898} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13831
@article{Speiser_Chandola_Hinrichs_Gensch_Cobet_Wippermann_Schmidt_Bechstedt_Richter_Fleischer_et al._2010, title={Metal-insulator transition in Si(111)-(4 × 1)/(8 × 2)-In studied by optical spectroscopy}, volume={247}, DOI={10.1002/pssb.200983961}, number={8}, journal={physica status solidi (b)}, author={Speiser, E. and Chandola, S. and Hinrichs, K. and Gensch, M. and Cobet, C. and Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Richter, W. and Fleischer, K. and et al.}, year={2010}, pages={2033–2039} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13836
@article{Rauls_Blankenburg_Schmidt_2010, title={Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111)}, volume={81}, DOI={10.1103/physrevb.81.125401}, number={12}, journal={Physical Review B}, author={Rauls, E. and Blankenburg, S. and Schmidt, Wolf Gero}, year={2010} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13843
@article{Wippermann_Schmidt_Thissen_Grundmeier_2010, title={Dissociative and molecular adsorption of water onα-Al2O3(0001)}, volume={7}, DOI={10.1002/pssc.200982423}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Thissen, P. and Grundmeier, G.}, year={2010}, pages={137–140} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13832
@article{Thierfelder_Schmidt_2010, title={First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111)}, volume={82}, DOI={10.1103/physrevb.82.115402}, number={11}, journal={Physical Review B}, author={Thierfelder, C. and Schmidt, Wolf Gero}, year={2010} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13837
@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2010, title={Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC}, volume={645–648}, DOI={10.4028/www.scientific.net/msf.645-648.403}, journal={Materials Science Forum}, author={Scholle, Andreas and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2010}, pages={403–406} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13826
@article{Blankenburg_Rauls_Schmidt_2010, title={Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization}, volume={1}, DOI={10.1021/jz101389u}, journal={The Journal of Physical Chemistry Letters}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2010}, pages={3266–3270} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13833
@article{Sanna_Schmidt_2010, title={Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory}, volume={81}, DOI={10.1103/physrevb.81.214116}, number={21}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010} }
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| DOI
2010 | Journal Article | LibreCat-ID: 13838
@article{Sanna_Schmidt_2010, title={GaN growth on LiNbO3 (0001) - a first-principles simulation}, volume={7}, DOI={10.1002/pssc.200983649}, number={7–8}, journal={physica status solidi (c)}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010}, pages={2272–2274} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13573
@article{Thierfelder_Sanna_Schindlmayr_Schmidt_2010, title={Do we know the band gap of lithium niobate?}, volume={7}, DOI={10.1002/pssc.200982473}, number={2}, journal={Physica Status Solidi C}, publisher={Wiley-VCH}, author={Thierfelder, Christian and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2010}, pages={362–365} }
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| Files available
| DOI
| WoS
2010 | Journal Article | LibreCat-ID: 13827
@article{Wippermann_Schmidt_2010, title={Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array}, volume={105}, DOI={10.1103/physrevlett.105.126102}, number={12}, journal={Physical Review Letters}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2010} }
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| DOI
2010 | Journal Article | LibreCat-ID: 13834
@article{Sanna_Schmidt_2010, title={GaN/LiNbO3 (0001) interface formation calculated from first-principles}, volume={256}, DOI={10.1016/j.apsusc.2010.03.098}, journal={Applied Surface Science}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010}, pages={5740–5743} }
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| DOI
2010 | Journal Article | LibreCat-ID: 13839
@article{Blankenburg_Schmidt_2010, title={Temperature dependent stability of self-assembled molecular rows}, volume={7}, DOI={10.1002/pssc.200982460}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2010}, pages={415–417} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13841
@article{Blankenburg_Rauls_Schmidt_2010, title={The physics of highly ordered molecular rows}, volume={7}, DOI={10.1002/pssc.200982459}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2010}, pages={153–156} }
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| DOI
2010 | Journal Article | LibreCat-ID: 13574
@article{Gerstmann_Rohrmüller_Mauri_Schmidt_2010, title={Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces}, volume={7}, DOI={10.1002/pssc.200982462}, number={2}, journal={physica status solidi (c)}, author={Gerstmann, Uwe and Rohrmüller, M. and Mauri, F. and Schmidt, Wolf Gero}, year={2010}, pages={157–160} }
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| DOI
2010 | Journal Article | LibreCat-ID: 13581
@article{Wippermann_Schmidt_Bechstedt_Chandola_Hinrichs_Gensch_Esser_Fleischer_McGilp_2010, title={Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles}, volume={7}, DOI={10.1002/pssc.200982413}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Fleischer, K. and McGilp, J. F.}, year={2010}, pages={133–136} }
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| DOI
2010 | Journal Article | LibreCat-ID: 13656
@article{Bihler_Gerstmann_Hoeb_Graf_Gjukic_Schmidt_Stutzmann_Brandt_2010, title={Manganese-hydrogen complexes inGa1−xMnxN}, volume={80}, DOI={10.1103/physrevb.80.205205}, number={20}, journal={Physical Review B}, author={Bihler, C. and Gerstmann, Uwe and Hoeb, M. and Graf, T. and Gjukic, M. and Schmidt, Wolf Gero and Stutzmann, M. and Brandt, M. S.}, year={2010} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13657
@article{Sanna_Schmidt_Frauenheim_Gerstmann_2009, title={Rare-earth defect pairs in GaN: LDA+U calculations}, volume={80}, DOI={10.1103/physrevb.80.104120}, number={10}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf Gero and Frauenheim, Th. and Gerstmann, Uwe}, year={2009} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13664
@article{Lange_Posner_Pohl_Thierfelder_Grundmeier_Blankenburg_Schmidt_2009, title={Water adsorption on hydrogenated Si(111) surfaces}, volume={603}, DOI={10.1016/j.susc.2008.10.030}, journal={Surface Science}, author={Lange, B. and Posner, R. and Pohl, K. and Thierfelder, C. and Grundmeier, Guido and Blankenburg, S. and Schmidt, Wolf Gero}, year={2009}, pages={60–64} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13583
@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Vacancy clusters created via room temperature irradiation in 6H-SiC}, volume={404}, DOI={10.1016/j.physb.2009.08.123}, journal={Physica B: Condensed Matter}, author={Scholle, A. and Greulich-Weber, S. and Rauls, E. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={4742–4744} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13658
@article{Passmann_Favero_Schmidt_Miotto_Braun_Richter_Kneissl_Esser_Vogt_2009, title={Adsorption structure of cyclopentene on InP(001)(2×4)}, volume={80}, DOI={10.1103/physrevb.80.125303}, number={12}, journal={Physical Review B}, author={Passmann, Regina and Favero, Priscila and Schmidt, Wolf Gero and Miotto, Ronei and Braun, Walter and Richter, Wolfgang and Kneissl, Michael and Esser, Norbert and Vogt, Patrick}, year={2009} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13660
@article{Chandola_Hinrichs_Gensch_Esser_Wippermann_Schmidt_Bechstedt_Fleischer_McGilp_2009, title={Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response}, volume={102}, DOI={10.1103/physrevlett.102.226805}, number={22}, journal={Physical Review Letters}, author={Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Fleischer, K. and McGilp, J. F.}, year={2009} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13665
@article{Landmann_Rauls_Schmidt_2009, title={First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen}, volume={79}, DOI={10.1103/physrevb.79.045412}, number={4}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2009} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13576
@article{Blankenburg_Rauls_Schmidt_2009, title={The physics of highly ordered molecular rows}, DOI={10.1002/pssc.200982459}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={153–156} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13844
@article{Savchenko_Pöppl_Kalabukhova_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC}, volume={615–617}, DOI={10.4028/www.scientific.net/msf.615-617.343}, journal={Materials Science Forum}, author={Savchenko, D.V. and Pöppl, Andreas and Kalabukhova, Ekaterina N. and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={343–346} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13577
@article{Blankenburg_Rauls_Schmidt_2009, title={The physics of highly ordered molecular rows}, volume={7}, DOI={10.1002/pssc.200982459}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={153–156} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13659
@article{Blankenburg_Rauls_Schmidt_2009, title={Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures}, volume={113}, DOI={10.1021/jp902337p}, journal={The Journal of Physical Chemistry C}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={12653–12657} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13661
@article{Landmann_Rauls_Schmidt_2009, title={Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles}, volume={113}, DOI={10.1021/jp810581s}, journal={The Journal of Physical Chemistry C}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={5690–5699} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13580
@article{Wippermann_Schmidt_Thissen_Grundmeier_2009, title={Dissociative and molecular adsorption of water onα-Al2O3(0001)}, volume={7}, DOI={10.1002/pssc.200982423}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Thissen, P. and Grundmeier, Guido}, year={2009}, pages={137–140} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13655
@article{Thissen_Grundmeier_Wippermann_Schmidt_2009, title={Water adsorption on the α-Al2O3(0001) surface}, volume={80}, DOI={10.1103/physrevb.80.245403}, number={24}, journal={Physical Review B}, author={Thissen, P. and Grundmeier, G. and Wippermann, S. and Schmidt, Wolf Gero}, year={2009} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13662
@article{Blankenburg_Schmidt_2009, title={Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions}, volume={21}, DOI={10.1088/0953-8984/21/18/185001}, number={185001}, journal={Journal of Physics: Condensed Matter}, author={Blankenburg, S and Schmidt, Wolf Gero}, year={2009} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13578
@article{Sanna_Gavrilenko_Schmidt_2009, title={Ab initioinvestigation of the LiNbO3(0001) surface}, DOI={10.1002/pssc.200982456}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2009}, pages={145–148} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13579
@article{Sanna_Gavrilenko_Schmidt_2009, title={Ab initioinvestigation of the LiNbO3(0001) surface}, volume={7}, DOI={10.1002/pssc.200982456}, number={2}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2009}, pages={145–148} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13669
@article{Rauls_Dijkstra_Schmidt_2008, title={Atomic structure and energetics of thec-GaN(001) surface}, volume={78}, DOI={10.1103/physrevb.78.113302}, number={11}, journal={Physical Review B}, author={Rauls, E. and Dijkstra, S. J. and Schmidt, Wolf Gero}, year={2008} }
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| DOI
2008 | Journal Article | LibreCat-ID: 13671
@article{Hermann_Schmidt_Schwerdtfeger_2008, title={Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects}, volume={100}, DOI={10.1103/physrevlett.100.207403}, number={20}, journal={Physical Review Letters}, author={Hermann, A. and Schmidt, Wolf Gero and Schwerdtfeger, P.}, year={2008} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13676
@article{Schmidt_Albrecht_Wippermann_Blankenburg_Rauls_Fuchs_Rödl_Furthmüller_Hermann_2008, title={LiNbO3ground- and excited-state properties from first-principles calculations}, volume={77}, DOI={10.1103/physrevb.77.035106}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Albrecht, M. and Wippermann, S. and Blankenburg, S. and Rauls, E. and Fuchs, F. and Rödl, C. and Furthmüller, J. and Hermann, A.}, year={2008} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13672
@article{Hermann_Schwerdtfeger_Schmidt_2008, title={Theoretical study of the localization of excess electrons at the surface of ice}, volume={20}, DOI={10.1088/0953-8984/20/22/225003}, number={225003}, journal={Journal of Physics: Condensed Matter}, author={Hermann, A and Schwerdtfeger, P and Schmidt, Wolf Gero}, year={2008} }
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| DOI
2008 | Journal Article | LibreCat-ID: 13666
@article{Wippermann_Schmidt_2008, title={Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles}, volume={78}, DOI={10.1103/physrevb.78.235439}, number={23}, journal={Physical Review B}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2008} }
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| DOI
2008 | Journal Article | LibreCat-ID: 13673
@article{Rakel_Cobet_Esser_Fuchs_Bechstedt_Goldhahn_Schmidt_Schaff_2008, title={GaN and InN conduction-band states studied by ellipsometry}, volume={77}, DOI={10.1103/physrevb.77.115120}, number={11}, journal={Physical Review B}, author={Rakel, Munise and Cobet, Christoph and Esser, Norbert and Fuchs, Frank and Bechstedt, Friedhelm and Goldhahn, Rüdiger and Schmidt, Wolf Gero and Schaff, William}, year={2008} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13674
@article{Wippermann_Koch_Schmidt_2008, title={Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects}, volume={100}, DOI={10.1103/physrevlett.100.106802}, number={10}, journal={Physical Review Letters}, author={Wippermann, S. and Koch, N. and Schmidt, Wolf Gero}, year={2008} }
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| DOI
2008 | Journal Article | LibreCat-ID: 13663
@article{Wippermann_Schmidt_2008, title={Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array}, volume={603}, DOI={10.1016/j.susc.2008.11.013}, journal={Surface Science}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2008}, pages={247–250} }
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| DOI
2008 | Journal Article | LibreCat-ID: 13668
@article{Rauls_Schmidt_2008, title={Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110)}, volume={112}, DOI={10.1021/jp8037297}, journal={Journal of Physical Chemistry C}, author={Rauls, E. and Schmidt, Wolf Gero}, year={2008}, pages={11490–11494} }
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| DOI
2008 | Journal Article | LibreCat-ID: 13670
@article{Rauls_Blankenburg_Schmidt_2008, title={DFT calculations of adenine adsorption on coin metal (110) surfaces}, volume={602}, DOI={10.1016/j.susc.2008.04.029}, journal={Surface Science}, author={Rauls, E. and Blankenburg, S. and Schmidt, Wolf Gero}, year={2008}, pages={2170–2174} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13675
@article{Lange_Schmidt_2008, title={Ammonia adsorption on Cl/Si(001): First-principles calculations}, volume={602}, DOI={10.1016/j.susc.2008.01.024}, journal={Surface Science}, author={Lange, B. and Schmidt, Wolf Gero}, year={2008}, pages={1207–1211} }
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| DOI
2007 | Journal Article | LibreCat-ID: 13683
@article{Stekolnikov_Seino_Bechstedt_Wippermann_Schmidt_Calzolari_Nardelli_2007, title={Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance}, volume={98}, DOI={10.1103/physrevlett.98.026105}, number={2}, journal={Physical Review Letters}, author={Stekolnikov, A. A. and Seino, K. and Bechstedt, F. and Wippermann, S. and Schmidt, Wolf Gero and Calzolari, A. and Nardelli, M. Buongiorno}, year={2007} }
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| DOI
2007 | Journal Article | LibreCat-ID: 13677
@article{Thierfelder_Schmidt_2007, title={Ethanol adsorbed on ice: A first-principles study}, volume={76}, DOI={10.1103/physrevb.76.195426}, number={19}, journal={Physical Review B}, author={Thierfelder, C. and Schmidt, Wolf Gero}, year={2007} }
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13678
@article{Blankenburg_Schmidt_2007, title={Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer}, volume={99}, DOI={10.1103/physrevlett.99.196107}, number={19}, journal={Physical Review Letters}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2007} }
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| DOI
2007 | Journal Article | LibreCat-ID: 13680
@article{Blankenburg_Schmidt_2007, title={Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)}, volume={18}, DOI={10.1088/0957-4484/18/42/424030}, number={424030}, journal={Nanotechnology}, author={Blankenburg, S and Schmidt, Wolf Gero}, year={2007} }
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13681
@article{Wippermann_Schmidt_Calzolari_Nardelli_Stekolnikov_Seino_Bechstedt_2007, title={Quantum conductance of In nanowires on Si(111) from first principles calculations}, DOI={10.1016/j.susc.2007.04.053}, journal={Surface Science}, author={Wippermann, S. and Schmidt, Wolf Gero and Calzolari, A. and Nardelli, M. Buongiorno and Stekolnikov, A.A. and Seino, K. and Bechstedt, F.}, year={2007}, pages={4045–4047} }
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13682
@article{Bernholc_Lu_Nakhmanson_Hahn_Meunier_Buongiorno Nardelli_Schmidt_2007, title={Atomic scale design of nanostructures}, DOI={10.1080/00268970701189186}, journal={Molecular Physics}, author={Bernholc, J. and Lu, W. and Nakhmanson, S. M. and Hahn, P.H. and Meunier, V. and Buongiorno Nardelli, M. and Schmidt, Wolf Gero}, year={2007}, pages={147–156} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13688
@article{Blankenburg_Schmidt_2006, title={Adsorption of phenylglycine on copper: Density functional calculations}, volume={74}, DOI={10.1103/physrevb.74.155419}, number={15}, journal={Physical Review B}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2006} }
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| DOI
2006 | Journal Article | LibreCat-ID: 13690
@article{Thierfelder_Hermann_Schwerdtfeger_Schmidt_2006, title={Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations}, volume={74}, DOI={10.1103/physrevb.74.045422}, number={4}, journal={Physical Review B}, author={Thierfelder, C. and Hermann, A. and Schwerdtfeger, P. and Schmidt, Wolf Gero}, year={2006} }
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| DOI
2006 | Journal Article | LibreCat-ID: 13695
@article{Hahn_Schmidt_Bechstedt_2006, title={Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics}, volume={72}, DOI={10.1103/physrevb.72.245425}, number={24}, journal={Physical Review B}, author={Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13684
@article{Letzig_Willig_Hahn_Schmidt_2006, title={Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface}, volume={74}, DOI={10.1103/physrevb.74.245307}, number={24}, journal={Physical Review B}, author={Letzig, T. and Willig, F. and Hahn, P. H. and Schmidt, Wolf Gero}, year={2006} }
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| DOI
2006 | Journal Article | LibreCat-ID: 13689
@article{Preuss_Miotto_Bechstedt_Rada_Richardson_Schmidt_2006, title={Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS}, volume={74}, DOI={10.1103/physrevb.74.115402}, number={11}, journal={Physical Review B}, author={Preuss, M. and Miotto, R. and Bechstedt, F. and Rada, T. and Richardson, N. V. and Schmidt, Wolf Gero}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13691
@article{Biering_Hermann_Schmidt_2006, title={Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions}, volume={73}, DOI={10.1103/physrevb.73.235429}, number={23}, journal={Physical Review B}, author={Biering, S. and Hermann, A. and Schmidt, Wolf Gero}, year={2006} }
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| DOI
2006 | Journal Article | LibreCat-ID: 13685
@article{Preuss_Bechstedt_Schmidt_Sochos_Schröter_Richter_2006, title={Clean and pyrrole-functionalized Si- and C-terminated SiC surfaces: First-principles calculations of geometry and energetics compared with LEED and XPS}, volume={74}, DOI={10.1103/physrevb.74.235406}, number={23}, journal={Physical Review B}, author={Preuss, M. and Bechstedt, F. and Schmidt, Wolf Gero and Sochos, J. and Schröter, B. and Richter, W.}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13692
@article{Schmidt_Hermann_Fuchs_Bechstedt_2006, title={Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation}, volume={6}, DOI={10.1016/j.cap.2005.11.069}, journal={Current Applied Physics}, author={Schmidt, Wolf Gero and Hermann, A. and Fuchs, F. and Bechstedt, F.}, year={2006}, pages={525–530} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13845
@article{Ortmann_Bechstedt_Schmidt_2006, title={Semiempirical van der Waals correction to the density functional description of solids and molecular structures}, volume={73}, DOI={10.1103/physrevb.73.205101}, number={20}, journal={Physical Review B}, author={Ortmann, F. and Bechstedt, F. and Schmidt, Wolf Gero}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13686
@article{Schmidt_Seino_Preuss_Hermann_Ortmann_Bechstedt_2006, title={Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction}, volume={85}, DOI={10.1007/s00339-006-3691-0}, journal={Applied Physics A}, author={Schmidt, Wolf Gero and Seino, K. and Preuss, M. and Hermann, A. and Ortmann, F. and Bechstedt, F.}, year={2006}, pages={387–397} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13693
@article{Schmidt_Seino_2006, title={Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping}, volume={6}, DOI={10.1016/j.cap.2005.11.012}, journal={Current Applied Physics}, author={Schmidt, Wolf Gero and Seino, K.}, year={2006}, pages={331–333} }
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| DOI
2006 | Journal Article | LibreCat-ID: 13694
@article{Seino_Schmidt_Ohtake_2006, title={Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions}, volume={73}, DOI={10.1103/physrevb.73.035317}, number={3}, journal={Physical Review B}, author={Seino, K. and Schmidt, Wolf Gero and Ohtake, A.}, year={2006} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13703
@article{Preuss_Schmidt_Bechstedt_2005, title={Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110)}, volume={94}, DOI={10.1103/physrevlett.94.236102}, journal={Physical Review Letters}, author={Preuss, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13708
@article{Töben_Gundlach_Ernstorfer_Eichberger_Hannappel_Willig_Zeiser_Förstner_Knorr_Hahn_et al._2005, title={Femtosecond Transfer Dynamics of Photogenerated Electrons at a Surface Resonance of Reconstructed InP(100)}, volume={94}, DOI={10.1103/physrevlett.94.067601}, journal={Physical Review Letters}, author={Töben, L. and Gundlach, L. and Ernstorfer, R. and Eichberger, R. and Hannappel, T. and Willig, F. and Zeiser, A. and Förstner, Jens and Knorr, A. and Hahn, P. H. and et al.}, year={2005}, pages={067601} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13696
@article{Bechstedt_Seino_Hahn_Schmidt_2005, title={Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl}, volume={72}, DOI={10.1103/physrevb.72.245114}, number={24}, journal={Physical Review B}, author={Bechstedt, F. and Seino, K. and Hahn, P. H. and Schmidt, Wolf Gero}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13704
@article{Seino_Schmidt_2005, title={Conformation-selective adsorption of 2,3-butanediol on Si(001)}, DOI={10.1016/j.susc.2005.04.029}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero}, year={2005}, pages={191–196} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13709
@article{Hahn_Schmidt_Seino_Preuss_Bechstedt_Bernholc_2005, title={Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding}, volume={94}, DOI={10.1103/physrevlett.94.037404}, journal={Physical Review Letters}, author={Hahn, P. H. and Schmidt, Wolf Gero and Seino, K. and Preuss, M. and Bechstedt, F. and Bernholc, J.}, year={2005}, pages={037404} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13697
@article{Ortmann_Schmidt_Bechstedt_2005, title={Attracted by Long-Range Electron Correlation: Adenine on Graphite}, volume={95}, DOI={10.1103/physrevlett.95.186101}, number={18}, journal={Physical Review Letters}, author={Ortmann, F. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13700
@article{Esser_Rakel_Cobet_Schmidt_Braun_Cardona_2005, title={VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations}, volume={242}, DOI={10.1002/pssb.200541315}, number={13}, journal={physica status solidi (b)}, author={Esser, N. and Rakel, M. and Cobet, C. and Schmidt, Wolf Gero and Braun, W. and Cardona, M.}, year={2005}, pages={2601–2609} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13705
@article{Leitsmann_Schmidt_Hahn_Bechstedt_2005, title={Second-harmonic polarizability including electron-hole attraction from band-structure theory}, volume={71}, DOI={10.1103/physrevb.71.195209}, journal={Physical Review B}, author={Leitsmann, R. and Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13698
@article{Schmidt_2005, title={Calculation of reflectance anisotropy for semiconductor surface exploration}, volume={242}, DOI={10.1002/pssb.200541112}, number={13}, journal={physica status solidi (b)}, author={Schmidt, Wolf Gero}, year={2005}, pages={2751–2764} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13701
@article{Fuchs_Schmidt_Bechstedt_2005, title={Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations}, volume={109}, DOI={10.1021/jp0501087}, journal={The Journal of Physical Chemistry B}, author={Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005}, pages={17649–17653} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13706
@article{Hermann_Schmidt_Bechstedt_2005, title={Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study}, volume={71}, DOI={10.1103/physrevb.71.153311}, journal={Physical Review B}, author={Hermann, A. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13846
@article{Hahn_Schmidt_Bechstedt_2005, title={Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics}, volume={72}, DOI={10.1103/physrevb.72.245425}, number={24}, journal={Physical Review B}, author={Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13699
@article{Hahn_Seino_Schmidt_Furthmüller_Bechstedt_2005, title={Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN}, volume={242}, DOI={10.1002/pssb.200541128}, number={13}, journal={physica status solidi (b)}, author={Hahn, P. H. and Seino, K. and Schmidt, Wolf Gero and Furthmüller, J. and Bechstedt, F.}, year={2005}, pages={2720–2728} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13702
@article{Fuchs_Schmidt_Bechstedt_2005, title={Understanding the optical anisotropy of oxidized Si(001) surfaces}, volume={72}, DOI={10.1103/physrevb.72.075353}, number={7}, journal={Physical Review B}, author={Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13707
@article{Hermann_Schmidt_Bechstedt_2005, title={Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response}, volume={109}, DOI={10.1021/jp0500182}, journal={The Journal of Physical Chemistry B}, author={Hermann, Andreas and Schmidt, Wolf Gero and Bechstedt, Friedhelm}, year={2005}, pages={7928–7933} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13710
@article{Ohtake_Kocán_Seino_Schmidt_Koguchi_2004, title={Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase}, volume={93}, DOI={10.1103/physrevlett.93.266101}, journal={Physical Review Letters}, author={Ohtake, Akihiro and Kocán, Pavel and Seino, Kaori and Schmidt, Wolf Gero and Koguchi, Nobuyuki}, year={2004}, pages={266101} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13715
@article{Preuss_Schmidt_Seino_Bechstedt_2004, title={Methylchloride adsorbed on Si(001): an ab initio study}, volume={234}, DOI={10.1016/j.apsusc.2004.05.041}, journal={Applied Surface Science}, author={Preuss, M and Schmidt, Wolf Gero and Seino, K and Bechstedt, F}, year={2004}, pages={155–161} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13722
@article{Preuss_Schmidt_Seino_Furthmüller_Bechstedt_2004, title={Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials}, volume={25}, DOI={10.1002/jcc.10372}, number={1}, journal={Journal of Computational Chemistry}, author={Preuss, M. and Schmidt, Wolf Gero and Seino, K. and Furthmüller, J. and Bechstedt, F.}, year={2004}, pages={112–122} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13711
@article{Seino_Schmidt_2004, title={H2O on Si(001): surface optical anisotropy from first-principles calculations}, volume={571}, DOI={10.1016/j.susc.2004.08.012}, number={157}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero}, year={2004}, pages={157–160} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13716
@article{Fleischer_Chandola_Esser_Richter_McGilp_Schmidt_Wang_Lu_Bernholc_2004, title={Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy}, volume={234}, DOI={10.1016/j.apsusc.2004.05.114}, journal={Applied Surface Science}, author={Fleischer, K and Chandola, S and Esser, N and Richter, W and McGilp, J.F and Schmidt, Wolf Gero and Wang, S and Lu, W and Bernholc, J}, year={2004}, pages={302–306} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13712
@article{Schmidt_Fuchs_Hermann_Seino_Bechstedt_Paßmann_Wahl_Gensch_Hinrichs_Esser_et al._2004, title={Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions}, volume={16}, DOI={10.1088/0953-8984/16/39/007}, journal={Journal of Physics: Condensed Matter}, author={Schmidt, Wolf Gero and Fuchs, F and Hermann, A and Seino, K and Bechstedt, F and Paßmann, R and Wahl, M and Gensch, M and Hinrichs, K and Esser, N and et al.}, year={2004}, pages={S4323–S4334} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13717
@article{Seino_Schmidt_Bechstedt_2004, title={Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection}, volume={93}, DOI={10.1103/physrevlett.93.036101}, number={3}, journal={Physical Review Letters}, author={Seino, K. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2004} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13713
@article{Palummo_Pulci_Sole_Marini_Hahn_Schmidt_Bechstedt_2004, title={The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra}, volume={16}, DOI={10.1088/0953-8984/16/39/006}, journal={Journal of Physics: Condensed Matter}, author={Palummo, M and Pulci, O and Sole, R Del and Marini, A and Hahn, P and Schmidt, Wolf Gero and Bechstedt, F}, year={2004}, pages={S4313–S4322} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13718
@article{Preuss_Schmidt_Bechstedt_2004, title={Methyl Chloride Adsorption on Si(001)−Electronic Structure}, volume={108}, DOI={10.1021/jp049661z}, journal={The Journal of Physical Chemistry B}, author={Preuss, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2004}, pages={7809–7813} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13720
@article{Schmidt_Seino_Hahn_Bechstedt_Lu_Wang_Bernholc_2004, title={Calculation of surface optical properties: from qualitative understanding to quantitative predictions}, volume={455–456}, DOI={10.1016/j.tsf.2003.11.263}, journal={Thin Solid Films}, author={Schmidt, Wolf Gero and Seino, K. and Hahn, P.H. and Bechstedt, F. and Lu, W. and Wang, S. and Bernholc, J.}, year={2004}, pages={764–771} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13714
@article{Zeiser_Bücking_Götte_Förstner_Hahn_Schmidt_Knorr_2004, title={Dynamics of the phonon-induced electron transfer between semiconductor bulk and surface states}, volume={241}, DOI={10.1002/pssb.200409060}, number={12}, journal={physica status solidi (b)}, author={Zeiser, Andreas and Bücking, Norbert and Götte, Jörg and Förstner, Jens and Hahn, Patrick and Schmidt, Wolf Gero and Knorr, Andreas}, year={2004}, pages={R60–R62} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13719
@article{Seino_Schmidt_Bechstedt_2004, title={Organic modification of surface electronic properties: A first-principles study of uracil on Si(001)}, volume={69}, DOI={10.1103/physrevb.69.245309}, journal={Physical Review B}, author={Seino, K. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2004}, pages={245309} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13721
@article{Seino_Schmidt_2004, title={Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions}, volume={548}, DOI={10.1016/j.susc.2003.11.002}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero}, year={2004}, pages={183–186} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13727
@article{Wang_Lu_Schmidt_Bernholc_2003, title={Nanowire-induced optical anisotropy of the Si(111)-In surface}, volume={68}, DOI={10.1103/physrevb.68.035329}, journal={Physical Review B}, author={Wang, Shuchun and Lu, Wenchang and Schmidt, Wolf Gero and Bernholc, J.}, year={2003}, pages={035329} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13734
@article{Schmidt_Glutsch_Hahn_Bechstedt_2003, title={EfficientO(N2)method to solve the Bethe-Salpeter equation}, volume={67}, DOI={10.1103/physrevb.67.085307}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Glutsch, S. and Hahn, P. H. and Bechstedt, F.}, year={2003}, pages={085307} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13723
@article{Bechstedt_Del Sole_Glutsch_Hahn_Pulci_Schmidt_2003, title={Many-body and overlayer effects on surface optical properties}, volume={240}, DOI={10.1002/pssb.200303827}, number={3}, journal={physica status solidi (b)}, author={Bechstedt, F. and Del Sole, R. and Glutsch, S. and Hahn, P. H. and Pulci, O. and Schmidt, Wolf Gero}, year={2003}, pages={469–479} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13728
@article{Hahn_Schmidt_Bechstedt_Pulci_Del Sole_2003, title={P-richGaP(001)(2×1)/(2×2)surface: A hydrogen-adsorbate structure determined from first-principles calculations}, volume={68}, DOI={10.1103/physrevb.68.033311}, journal={Physical Review B}, author={Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F. and Pulci, O. and Del Sole, R.}, year={2003}, pages={033311} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13730
@article{Hahn_Schmidt_2003, title={Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation}, volume={10}, DOI={10.1142/s0218625x03004913}, number={2–3}, journal={Surface Review and Letters}, author={Hahn, P. H. and Schmidt, Wolf Gero}, year={2003}, pages={163–167} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13735
@article{Seino_Schmidt_Furthmüller_Bechstedt_2003, title={Chemisorption of pyrrole and polypyrrole on Si(001)}, volume={66}, DOI={10.1103/physrevb.66.235323}, journal={Physical Review B}, author={Seino, K. and Schmidt, Wolf Gero and Furthmüller, J. and Bechstedt, F.}, year={2003}, pages={235323} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13724
@article{Pristovsek_Tsukamoto_Ohtake_Koguchi_Orr_Schmidt_Bernholc_2003, title={Gallium-rich reconstructions on GaAs(001)}, volume={240}, DOI={10.1002/pssb.200301885}, number={1}, journal={physica status solidi (b)}, author={Pristovsek, M. and Tsukamoto, S. and Ohtake, A. and Koguchi, N. and Orr, B. G. and Schmidt, Wolf Gero and Bernholc, J.}, year={2003}, pages={91–98} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13729
@article{Schmidt_Seino_2003, title={Pyrrole (C4H4NH) and Polypyrrole Functionalized Silicon Surfaces Calculated from First Principles}, volume={10}, DOI={10.1142/s0218625x03004901}, number={2–3}, journal={Surface Review and Letters}, author={Schmidt, Wolf Gero and Seino, K.}, year={2003}, pages={221–226} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13731
@article{Seino_Schmidt_Furthmüller_Bechstedt_2003, title={Chemisorption of pyrrole (C4H4NH) on Si(001) calculated from first-principles}, volume={532–535}, DOI={10.1016/s0039-6028(03)00159-6}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero and Furthmüller, J. and Bechstedt, F.}, year={2003}, pages={988–992} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13725
@article{Lu_Schmidt_Bernholc_2003, title={Cycloaddition reaction versus dimer cleavage at theSi(001):C5H8interface}, volume={68}, DOI={10.1103/physrevb.68.115327}, journal={Physical Review B}, author={Lu, Wenchang and Schmidt, Wolf Gero and Bernholc, J.}, year={2003}, pages={115327} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13732
@article{Seino_Schmidt_Preuss_Bechstedt_2003, title={Uracil Adsorbed on Si(001): Structure and Energetics}, volume={107}, DOI={10.1021/jp0342531}, journal={The Journal of Physical Chemistry B}, author={Seino, K. and Schmidt, Wolf Gero and Preuss, M. and Bechstedt, F.}, year={2003}, pages={5031–5035} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13726
@article{Castillo_Mendoza_Schmidt_Hahn_Bechstedt_2003, title={Layer-by-layer analysis of surface reflectance anisotropy in semiconductors}, volume={68}, DOI={10.1103/physrevb.68.041310}, journal={Physical Review B}, author={Castillo, C. and Mendoza, Bernardo S. and Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F.}, year={2003}, pages={041310(R)} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13733
@article{Schmidt_Hahn_Bechstedt_Esser_Vogt_Wange_Richter_2003, title={InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure}, volume={90}, DOI={10.1103/physrevlett.90.126101}, number={12}, journal={Physical Review Letters}, author={Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F. and Esser, N. and Vogt, P. and Wange, A. and Richter, W.}, year={2003}, pages={126101} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13739
@article{Schmidt_2002, title={III-V compound semiconductor (001) surfaces}, volume={75}, DOI={10.1007/s003390101058}, journal={Applied Physics A: Materials Science & Processing}, author={Schmidt, Wolf Gero}, year={2002}, pages={89–99} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13741
@article{Schmidt_Bechstedt_Fleischer_Cobet_Esser_Richter_Bernholc_Onida_2002, title={GaAs(001): Surface Structure and Optical Properties}, volume={188}, DOI={10.1002/1521-396x(200112)188:4<1401::aid-pssa1401>3.0.co;2-1}, number={4}, journal={physica status solidi (a)}, author={Schmidt, Wolf Gero and Bechstedt, F. and Fleischer, K. and Cobet, C. and Esser, N. and Richter, W. and Bernholc, J. and Onida, G.}, year={2002}, pages={1401–1409} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13742
@article{Bechstedt_Schmidt_Hahn_2002, title={Towards a Complete Many-Body Description: Optical Response of Real Surfaces}, volume={188}, DOI={10.1002/1521-396x(200112)188:4<1383::aid-pssa1383>3.0.co;2-g}, number={4}, journal={physica status solidi (a)}, author={Bechstedt, F. and Schmidt, Wolf Gero and Hahn, P.H.}, year={2002}, pages={1383–1392} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13754
@article{Schmidt_Bechstedt_Bernholc_2002, title={Terrace and step contributions to the optical anisotropy of Si(001) surfaces}, volume={63}, DOI={10.1103/physrevb.63.045322}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J.}, year={2002}, pages={045322} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13750
@article{Pulci_Lüdge_Vogt_Esser_Schmidt_Richter_Bechstedt_2002, title={First-principles study of InP and GaP(001) surfaces}, DOI={10.1016/s0927-0256(01)00161-6}, journal={Computational Materials Science}, author={Pulci, O. and Lüdge, K. and Vogt, P. and Esser, N. and Schmidt, Wolf Gero and Richter, W. and Bechstedt, F.}, year={2002}, pages={32–37} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13755
@article{Lu_Schmidt_Briggs_Bernholc_2002, title={Optical Anisotropy of theSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model}, volume={85}, DOI={10.1103/physrevlett.85.4381}, number={20}, journal={Physical Review Letters}, author={Lu, Wenchang and Schmidt, Wolf Gero and Briggs, E. L. and Bernholc, J.}, year={2002}, pages={4381–4384} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13736
@article{Schmidt_Bechstedt_Lu_Bernholc_2002, title={Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001)}, volume={66}, DOI={10.1103/physrevb.66.085334}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Lu, W. and Bernholc, J.}, year={2002}, pages={0855334} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13737
@article{Seino_Schmidt_Bechstedt_Bernholc_2002, title={Structure and energetics of Ga-rich GaAs() surfaces}, volume={507–510}, DOI={10.1016/s0039-6028(02)01278-5}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J.}, year={2002}, pages={406–410} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13749
@article{Paget_Garreau_Sauvage_Chiaradia_Pinchaux_Schmidt_2002, title={X-ray diffraction analysis of the gallium-rich surface of GaAs(001)}, volume={64}, DOI={10.1103/physrevb.64.161305}, journal={Physical Review B}, author={Paget, D. and Garreau, Y. and Sauvage, M. and Chiaradia, P. and Pinchaux, R. and Schmidt, Wolf Gero}, year={2002}, pages={161305(R)} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13738
@article{Schmidt_Bechstedt_Bernholc_2002, title={GaAs(001) surface reconstructions: geometries, chemical bonding and optical properties}, volume={190}, DOI={10.1016/s0169-4332(01)00862-5}, journal={Applied Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J.}, year={2002}, pages={264–268} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13740
@article{Hahn_Schmidt_Bechstedt_2002, title={Bulk Excitonic Effects in Surface Optical Spectra}, volume={88}, DOI={10.1103/physrevlett.88.016402}, number={1}, journal={Physical Review Letters}, author={Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2002} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13745
@article{Onida_Schmidt_Pulci_Palummo_Marini_Hogan_Del Sole_2002, title={Theory for Modeling the Optical Properties of Surfaces}, volume={188}, DOI={10.1002/1521-396x(200112)188:4<1233::aid-pssa1233>3.0.co;2-w}, number={4}, journal={physica status solidi (a)}, author={Onida, G. and Schmidt, Wolf Gero and Pulci, O. and Palummo, M. and Marini, A. and Hogan, C. and Del Sole, R.}, year={2002}, pages={1233–1242} }
LibreCat
| DOI
2001 | Journal Article | LibreCat-ID: 13753
@article{Pulci_Schmidt_Bechstedt_2001, title={Structure and Energetics of P-rich GaP(001) Surfaces}, volume={184}, DOI={10.1002/1521-396x(200103)184:1<105::aid-pssa105>3.0.co;2-d}, number={1}, journal={physica status solidi (a)}, author={Pulci, O. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2001}, pages={105–110} }
LibreCat
| DOI
2001 | Journal Article | LibreCat-ID: 13847
@article{Hingerl_Balderas-Navarro_Bonanni_Tichopadek_Schmidt_2001, title={On the origin of resonance features in reflectance difference data of silicon}, volume={175–176}, DOI={10.1016/s0169-4332(01)00114-3}, journal={Applied Surface Science}, author={Hingerl, K and Balderas-Navarro, R.E and Bonanni, A and Tichopadek, P and Schmidt, Wolf Gero}, year={2001}, pages={769–776} }
LibreCat
| DOI
2001 | Journal Article | LibreCat-ID: 13849
@article{Schmidt_Bechstedt_Bernholc_2001, title={Terrace and step contributions to the optical anisotropy of Si(001) surfaces}, volume={63}, DOI={10.1103/physrevb.63.045322}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J.}, year={2001} }
LibreCat
| DOI
2001 | Journal Article | LibreCat-ID: 13751
@article{Esser_Schmidt_Cobet_Fleischer_Shkrebtii_Fimland_Richter_2001, title={Atomic structure and optical anisotropy of III–V(001) surfaces}, volume={19}, DOI={10.1116/1.1394730}, number={51756}, journal={Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures}, author={Esser, N. and Schmidt, Wolf Gero and Cobet, C. and Fleischer, K. and Shkrebtii, A. I. and Fimland, B. O. and Richter, W.}, year={2001} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13758
@article{Frisch_Vogt_Visbeck_Hannappel_Willig_Braun_Richter_Bernholc_Schmidt_Esser_2000, title={Angle Resolved Photoemission Spectroscopy of the InP(001) surface}, volume={166}, DOI={10.1016/s0169-4332(00)00431-1}, journal={Applied Surface Science}, author={Frisch, A.M. and Vogt, P. and Visbeck, S. and Hannappel, Th. and Willig, F. and Braun, W. and Richter, W. and Bernholc, J. and Schmidt, Wolf Gero and Esser, N.}, year={2000}, pages={224–230} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13760
@article{Schmidt_Esser_Frisch_Vogt_Bernholc_Bechstedt_Zorn_Hannappel_Visbeck_Willig_et al._2000, title={Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum ofInP(001)(2×4)}, volume={61}, DOI={10.1103/physrevb.61.r16335}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Esser, N. and Frisch, A. M. and Vogt, P. and Bernholc, J. and Bechstedt, F. and Zorn, M. and Hannappel, Th. and Visbeck, S. and Willig, F. and et al.}, year={2000}, pages={R16335–R16338} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13759
@article{Schmidt_Mirbt_Bechstedt_2000, title={Surface phase diagram of (2×4) and (4×2) reconstructions of GaAs(001)}, volume={62}, DOI={10.1103/physrevb.62.8087}, number={12}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Mirbt, S. and Bechstedt, F.}, year={2000}, pages={8087–8091} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13761
@article{Schmidt_Bechstedt_Bernholc_2000, title={Understanding reflectance anisotropy: Surface-state signatures and bulk-related features}, volume={18}, DOI={10.1116/1.1305289}, number={42215}, journal={Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures}, author={Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J.}, year={2000} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13762
@article{Schmidt_Bernholc_2000, title={Step-induced optical anisotropy of Si(111):H surfaces}, volume={61}, DOI={10.1103/physrevb.61.7604}, number={11}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bernholc, J.}, year={2000}, pages={7604–7608} }
LibreCat
| DOI
2000 | Book Chapter | LibreCat-ID: 13763
@inbook{Bernholc_Briggs_Bungaro_Buongiorno Nardelli_Fattebert_Rapcewicz_Roland_Schmidt_Zhao_2000, series={217}, title={Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes and Quantum Transport}, volume={1}, DOI={10.1002/3527603107.ch33}, booktitle={Computer Simulation of Materials at Atomic Level}, publisher={physica status solidi (b)}, author={Bernholc, J. and Briggs, E. L. and Bungaro, C. and Buongiorno Nardelli, M. and Fattebert, J. -L. and Rapcewicz, K. and Roland, C. and Schmidt, Wolf Gero and Zhao, Q.}, year={2000}, pages={685–701}, collection={217} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13756
@article{Pulci_Lüdge_Schmidt_Bechstedt_2000, title={First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces}, volume={464}, DOI={10.1016/s0039-6028(00)00729-9}, journal={Surface Science}, author={Pulci, Olivia and Lüdge, Kathy and Schmidt, Wolf Gero and Bechstedt, F}, year={2000}, pages={272–282} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13757
@article{Schmidt_Bernholc_Bechstedt_2000, title={(001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures}, volume={166}, DOI={10.1016/s0169-4332(00)00406-2}, journal={Applied Surface Science}, author={Schmidt, Wolf Gero and Bernholc, J. and Bechstedt, F.}, year={2000}, pages={179–184} }
LibreCat
| DOI
1999 | Journal Article | LibreCat-ID: 13765
@article{Schmidt_FATTEBERT_BERNHOLC_BECHSTEDT_1999, title={SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001)}, volume={6}, DOI={10.1142/s0218625x99001281}, number={6}, journal={Surface Review and Letters}, author={Schmidt, Wolf Gero and FATTEBERT, J. L. and BERNHOLC, J. and BECHSTEDT, F.}, year={1999}, pages={1159–1165} }
LibreCat
| DOI
1999 | Journal Article | LibreCat-ID: 13766
@article{Bechstedt_Pulci_Schmidt_1999, title={Theoretical Aspects of the Optical Response of Semiconductor Surfaces}, volume={175}, DOI={10.1002/(sici)1521-396x(199909)175:1<5::aid-pssa5>3.0.co;2-9}, number={5}, journal={physica status solidi (a)}, author={Bechstedt, F. and Pulci, O. and Schmidt, Wolf Gero}, year={1999}, pages={5–16} }
LibreCat
| DOI
1999 | Journal Article | LibreCat-ID: 13767
@article{Esser_Schmidt_Bernholc_Frisch_Vogt_Zorn_Pristovsek_Richter_Bechstedt_Hannappel_et al._1999, title={GaP(001) and InP(001): Reflectance anisotropy and surface geometry}, volume={17}, DOI={10.1116/1.590810}, number={41691}, journal={Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures}, author={Esser, N. and Schmidt, Wolf Gero and Bernholc, J. and Frisch, A. M. and Vogt, P. and Zorn, M. and Pristovsek, M. and Richter, W. and Bechstedt, F. and Hannappel, Th. and et al.}, year={1999} }
LibreCat
| DOI
1999 | Journal Article | LibreCat-ID: 13768
@article{Frisch_Schmidt_Bernholc_Pristovsek_Esser_Richter_1999, title={(2×4)GaP(001) surface: Atomic structure and optical anisotropy}, volume={60}, DOI={10.1103/physrevb.60.2488}, number={4}, journal={Physical Review B}, author={Frisch, A. M. and Schmidt, Wolf Gero and Bernholc, J. and Pristovsek, M. and Esser, N. and Richter, W.}, year={1999}, pages={2488–2494} }
LibreCat
| DOI
1999 | Journal Article | LibreCat-ID: 13764
@article{Bechstedt_Adolph_Schmidt_1999, title={Ab initio calculation of linear and nonlinear optical properties of semiconductor structures}, volume={29}, DOI={10.1590/s0103-97331999000400007}, number={4}, journal={Brazilian Journal of Physics}, author={Bechstedt, F. and Adolph, B. and Schmidt, Wolf Gero}, year={1999} }
LibreCat
| DOI
1999 | Journal Article | LibreCat-ID: 13769
@article{Schmidt_Briggs_Bernholc_Bechstedt_1999, title={Structural fingerprints in the reflectance anisotropy spectra ofInP(001)(2×4)surfaces}, volume={59}, DOI={10.1103/physrevb.59.2234}, number={3}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Briggs, E. L. and Bernholc, J. and Bechstedt, F.}, year={1999}, pages={2234–2239} }
LibreCat
| DOI
1998 | Journal Article | LibreCat-ID: 13772
@article{Schmidt_Bechstedt_1998, title={Geometry and electronic structure of InP(001)(2×4) reconstructions}, volume={409}, DOI={10.1016/s0039-6028(98)00260-x}, number={3}, journal={Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1998}, pages={474–484} }
LibreCat
| DOI
1998 | Journal Article | LibreCat-ID: 13773
@article{Schmidt_Bechstedt_Esser_Pristovsek_Schultz_Richter_1998, title={Atomic structure of InP(001)-(2×4): A dimer reconstruction}, volume={57}, DOI={10.1103/physrevb.57.14596}, number={23}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Esser, N. and Pristovsek, M. and Schultz, Ch. and Richter, W.}, year={1998}, pages={14596–14599} }
LibreCat
| DOI
1998 | Journal Article | LibreCat-ID: 13774
@article{Schmidt_Käckell_Bechstedt_1998, title={In-induced (4 × 2) reconstructions of GaAs(001) surfaces}, volume={123–124}, DOI={10.1016/s0169-4332(97)00510-2}, journal={Applied Surface Science}, author={Schmidt, Wolf Gero and Käckell, P. and Bechstedt, F.}, year={1998}, pages={136–140} }
LibreCat
| DOI
1998 | Journal Article | LibreCat-ID: 13771
@article{Shkrebtii_Esser_Richter_Schmidt_Bechstedt_Fimland_Kley_Del Sole_1998, title={Reflectance Anisotropy of GaAs(100): Theory and Experiment}, volume={81}, DOI={10.1103/physrevlett.81.721}, number={3}, journal={Physical Review Letters}, author={Shkrebtii, A. I. and Esser, N. and Richter, W. and Schmidt, Wolf Gero and Bechstedt, F. and Fimland, B. O. and Kley, A. and Del Sole, R.}, year={1998}, pages={721–724} }
LibreCat
| DOI
1997 | Journal Article | LibreCat-ID: 13859
@article{Nilen_Connell_Britton_Fischer_Sendezera_Schmidt_Sellschop_Verwoerd_1997, title={A High Resolution Investigation of the Anisotropic Electron-Positron Momentum Distribution in Diamond}, volume={255–257}, DOI={10.4028/www.scientific.net/msf.255-257.475}, journal={Materials Science Forum}, author={Nilen, R.W.N. and Connell, S.H. and Britton, D.T. and Fischer, C.G. and Sendezera, E.J. and Schmidt, Wolf Gero and Sellschop, J.P.F. and Verwoerd, W.S.}, year={1997}, pages={475–478} }
LibreCat
| DOI
1997 | Journal Article | LibreCat-ID: 13777
@article{Grossner_Schmidt_Bechstedt_1997, title={As on InP(110) studied within density-functional theory}, volume={56}, DOI={10.1103/physrevb.56.6719}, number={11}, journal={Physical Review B}, author={Grossner, U. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1997}, pages={6719–6726} }
LibreCat
| DOI
1997 | Journal Article | LibreCat-ID: 13778
@article{Großner_Schmidt_Bechstedt_Santos_Koopmans_Esser_1997, title={Chemisorption of arsenic on InP(110)}, volume={377–379}, DOI={10.1016/s0039-6028(96)01469-0}, journal={Surface Science}, author={Großner, U. and Schmidt, Wolf Gero and Bechstedt, F. and Santos, P.V. and Koopmans, B. and Esser, N.}, year={1997}, pages={619–622} }
LibreCat
| DOI
1997 | Journal Article | LibreCat-ID: 13780
@article{Schmidt_Bechstedt_1997, title={Antimony-stabilized GaAs(001)(2×4) reconstructions}, volume={55}, DOI={10.1103/physrevb.55.13051}, number={19}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1997}, pages={13051–13057} }
LibreCat
| DOI
1997 | Journal Article | LibreCat-ID: 13779
@article{Schmidt_Bechstedt_1997, title={Comparison of As-rich and Sb-terminated GaAs(100)(2 × 4) reconstructions}, volume={377–379}, DOI={10.1016/s0039-6028(96)01318-0}, journal={Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1997}, pages={11–14} }
LibreCat
| DOI
1997 | Journal Article | LibreCat-ID: 13781
@article{Nilen_Connell_Schmidt_Britton_Verwoerd_Sellschop_Shrivastava_1997, title={Electron-positron momentum density distribution in diamond}, volume={116}, DOI={10.1016/s0169-4332(96)01078-1}, journal={Applied Surface Science}, author={Nilen, R.W.N. and Connell, S.H. and Schmidt, Wolf Gero and Britton, D.T. and Verwoerd, W.S. and Sellschop, J.P.F. and Shrivastava, S.}, year={1997}, pages={330–334} }
LibreCat
| DOI
1997 | Journal Article | LibreCat-ID: 13775
@article{Schmidt_1997, title={(4×2) and (2×4) reconstructions of GaAs and InP(001) surfaces}, volume={65}, DOI={10.1007/s003390050625}, journal={Applied Physics A: Materials Science & Processing}, author={Schmidt, Wolf Gero}, year={1997}, pages={581–586} }
LibreCat
| DOI
1997 | Journal Article | LibreCat-ID: 13776
@article{Nilen_Connell_Britton_Fischer_Sendezera_Schaaff_Schmidt_Sellschop_Verwoerd_1997, title={The anisotropic electron - positron momentum distribution in diamond}, volume={9}, DOI={10.1088/0953-8984/9/29/017}, journal={Journal of Physics: Condensed Matter}, author={Nilen, R W N and Connell, S H and Britton, D T and Fischer, C G and Sendezera, E J and Schaaff, P and Schmidt, Wolf Gero and Sellschop, J P F and Verwoerd, W S}, year={1997}, pages={6323–6333} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13784
@article{Santos_Koopmans_Esser_Schmidt_Bechstedt_1996, title={Optical Properties of Ordered As Layers on InP(110) Surfaces}, volume={77}, DOI={10.1103/physrevlett.77.759}, number={4}, journal={Physical Review Letters}, author={Santos, Paulo V. and Koopmans, B. and Esser, N. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1996}, pages={759–762} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13789
@article{Scholze_Schmidt_Bechstedt_1996, title={Structure of the diamond (111) surface: Single-dangling-bond versus triple-dangling-bond face}, volume={53}, DOI={10.1103/physrevb.53.13725}, number={20}, journal={Physical Review B}, author={Scholze, A. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1996}, pages={13725–13733} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13791
@article{Scholze_Schmidt_Bechstedt_1996, title={Diamond (111) and (100) surface reconstructions}, volume={281–282}, DOI={10.1016/0040-6090(96)08646-4}, journal={Thin Solid Films}, author={Scholze, A. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1996}, pages={256–259} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13785
@article{Schmidt_Bechstedt_1996, title={Atomic structures of GaAs(100)-(2 × 4) reconstructions}, volume={360}, DOI={10.1016/0039-6028(96)00728-5}, number={1}, journal={Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1996}, pages={L473–L477} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13792
@article{Schmidt_Bechstedt_Srivastava_1996, title={Phonons at III–V (110) surfaces}, volume={352–354}, DOI={10.1016/0039-6028(95)01095-5}, journal={Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, F. and Srivastava, G.P.}, year={1996}, pages={83–88} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13786
@article{Bechstedt_Schmidt_Scholze_1996, title={Adatoms and vacancies on the diamond(111) surface}, volume={35}, DOI={10.1209/epl/i1996-00155-0}, number={8}, journal={Europhysics Letters (EPL)}, author={Bechstedt, F and Schmidt, Wolf Gero and Scholze, A}, year={1996}, pages={585–590} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13793
@article{Schmidt_Scholze_Bechstedt_1996, title={Dimerized, buckled, or ideal chains on the diamond (111)2 × 1 surface?}, volume={351}, DOI={10.1016/0039-6028(95)01270-2}, journal={Surface Science}, author={Schmidt, Wolf Gero and Scholze, A. and Bechstedt, F.}, year={1996}, pages={183–188} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13782
@article{Esser_Shkrebtii_Resch-Esser_Springer_Richter_Schmidt_Bechstedt_Del Sole_1996, title={Atomic Structure of the Sb-Stabilized GaAs(100)-(2×4) Surface}, volume={77}, DOI={10.1103/physrevlett.77.4402}, number={21}, journal={Physical Review Letters}, author={Esser, N. and Shkrebtii, A. I. and Resch-Esser, U. and Springer, C. and Richter, W. and Schmidt, Wolf Gero and Bechstedt, F. and Del Sole, R.}, year={1996}, pages={4402–4405} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13794
@article{Käckell_Schmidt_Bechstedt_1996, title={Se-induced 3d core-level shifts of GaAs(110)}, volume={104–105}, DOI={10.1016/s0169-4332(96)00135-3}, journal={Applied Surface Science}, author={Käckell, Peter and Schmidt, Wolf Gero and Bechstedt, Friedhelm}, year={1996}, pages={141–146} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13783
@article{Schmidt_Bechstedt_1996, title={Geometry and electronic structure of GaAs(001)(2×4) reconstructions}, volume={54}, DOI={10.1103/physrevb.54.16742}, number={23}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1996}, pages={16742–16748} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13788
@article{Schmidt_Verwoerd_1996, title={Annihilation of delocalized positrons: a comparison of diamond and silicon}, volume={222}, DOI={10.1016/0375-9601(96)00653-6}, number={4}, journal={Physics Letters A}, author={Schmidt, Wolf Gero and Verwoerd, W.S}, year={1996}, pages={275–280} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13790
@article{Schmidt_Käckell_Bechstedt_1996, title={3d core-level shifts at}, volume={357–358}, DOI={10.1016/0039-6028(96)00220-8}, journal={Surface Science}, author={Schmidt, Wolf Gero and Käckell, P. and Bechstedt, F.}, year={1996}, pages={545–549} }
LibreCat
| DOI
1996 | Journal Article | LibreCat-ID: 13795
@article{Scholze_Schmidt_Käckell_Bechstedt_1996, title={Diamond (111) and (100) surface: ab initio study of the atomic and electronic structure}, volume={37}, DOI={10.1016/0921-5107(95)01477-2}, number={1–3}, journal={Materials Science and Engineering: B}, author={Scholze, A. and Schmidt, Wolf Gero and Käckell, P. and Bechstedt, F.}, year={1996}, pages={158–161} }
LibreCat
| DOI
1995 | Journal Article | LibreCat-ID: 13796
@article{Santos_Esser_Groenen_Cardona_Schmidt_Bechstedt_1995, title={Hydrogen interaction with Sb-terminated GaAs and InP (110) surfaces}, volume={52}, DOI={10.1103/physrevb.52.17379}, number={24}, journal={Physical Review B}, author={Santos, Paulo V. and Esser, N. and Groenen, J. and Cardona, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1995}, pages={17379–17385} }
LibreCat
| DOI
1995 | Journal Article | LibreCat-ID: 13797
@article{Santos_Esser_Cardona_Schmidt_Bechstedt_1995, title={Optical properties of Sb-terminated GaAs and InP (110) surfaces}, volume={52}, DOI={10.1103/physrevb.52.12158}, number={16}, journal={Physical Review B}, author={Santos, Paulo V. and Esser, N. and Cardona, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1995}, pages={12158–12167} }
LibreCat
| DOI
1995 | Journal Article | LibreCat-ID: 13800
@article{Kress_Fiedler_Schmidt_Bechstedt_1995, title={Quasi-particle band structure of C(111)2 × 1 and C(100)2 × 1 surfaces}, volume={331–333}, DOI={10.1016/0039-6028(95)00160-3}, journal={Surface Science}, author={Kress, Clemens and Fiedler, Marion and Schmidt, Wolf Gero and Bechstedt, Friedhelm}, year={1995}, pages={1152–1156} }
LibreCat
| DOI
1995 | Journal Article | LibreCat-ID: 13850
@article{Kress_Fiedler_Schmidt_Bechstedt_1995, title={Geometrical and electronic structure of the reconstructed diamond (100) surface}, volume={50}, DOI={10.1103/physrevb.50.17697}, number={23}, journal={Physical Review B}, author={Kress, C. and Fiedler, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1995}, pages={17697–17700} }
LibreCat
| DOI
1995 | Journal Article | LibreCat-ID: 13798
@article{Schmidt_Bechstedt_Srivastava_1995, title={III-V(110) surface dynamics from anab initiofrozen-phonon approach}, volume={52}, DOI={10.1103/physrevb.52.2001}, number={3}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Srivastava, G. P.}, year={1995}, pages={2001–2007} }
LibreCat
| DOI
1995 | Journal Article | LibreCat-ID: 13801
@article{Schmidt_Srivastava_1995, title={III-V(110)/Sb(1 ML): structural and dynamical properties}, volume={331–333}, DOI={10.1016/0039-6028(95)00304-5}, number={Part A}, journal={Surface Science}, author={Schmidt, Wolf Gero and Srivastava, G.P.}, year={1995}, pages={540–545} }
LibreCat
| DOI
1995 | Journal Article | LibreCat-ID: 13851
@article{Schmidt_Bechstedt_1995, title={Exchange reactions versus adsorption geometries for Se/GaAs(110)}, volume={50}, DOI={10.1103/physrevb.50.17651}, number={23}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1995}, pages={17651–17654} }
LibreCat
| DOI
1995 | Journal Article | LibreCat-ID: 13799
@article{Schmidt_Bechstedt_1995, title={Se/GaAs(110): energetics and structure}, volume={331–333}, DOI={10.1016/0039-6028(95)00317-7}, number={Part A}, journal={Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, Friedhelm}, year={1995}, pages={557–563} }
LibreCat
| DOI
1995 | Journal Article | LibreCat-ID: 13852
@article{Schmidt_Bechstedt_1995, title={Se/GaAs(110): Atomic and electronic structure}, volume={50}, DOI={10.1103/physrevb.50.17280}, number={23}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1995}, pages={17280–17291} }
LibreCat
| DOI
1994 | Journal Article | LibreCat-ID: 13854
@article{Schmidt_Srivastava_1994, title={First principles calculations of interface phonons of an Epitaxial Sb monolayer on GaAs(110) and InP(110)}, volume={89}, DOI={10.1016/0038-1098(94)90597-5}, number={4}, journal={Solid State Communications}, author={Schmidt, Wolf Gero and Srivastava, GP}, year={1994}, pages={345–348} }
LibreCat
| DOI
1994 | Journal Article | LibreCat-ID: 13855
@article{Schmidt_Wenzien_Bechstedt_1994, title={Coverage-dependent bonding of Sb on GaAs (110)}, volume={307–309}, DOI={10.1016/0039-6028(94)90400-6}, number={Part A}, journal={Surface Science}, author={Schmidt, Wolf Gero and Wenzien, Bernd and Bechstedt, Friedhelm}, year={1994}, pages={235–240} }
LibreCat
| DOI
1994 | Journal Article | LibreCat-ID: 13856
@article{Schmidt_Wenzien_Bechstedt_1994, title={Chemisorption of antimony on GaAs(110)}, volume={49}, DOI={10.1103/physrevb.49.4731}, number={7}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Wenzien, B. and Bechstedt, F.}, year={1994}, pages={4731–4744} }
LibreCat
| DOI
1994 | Journal Article | LibreCat-ID: 13853
@article{Bechstedt_Schmidt_Wenzien_1994, title={Energetics and Structure of Ordered Sb Overlayers and Sb Clusters on GaAs(110) Probed by Ab Initio Calculations}, volume={25}, DOI={10.1209/0295-5075/25/5/008}, number={5}, journal={Europhysics Letters (EPL)}, author={Bechstedt, F and Schmidt, Wolf Gero and Wenzien, B}, year={1994}, pages={357–362} }
LibreCat
| DOI
1993 | Journal Article | LibreCat-ID: 13857
@article{Schmidt_Srivastava_1993, title={Chemisorption of aluminium on GaAs(110)}, volume={5}, DOI={10.1088/0953-8984/5/49/005}, number={49}, journal={Journal of Physics: Condensed Matter}, author={Schmidt, Wolf Gero and Srivastava, G P}, year={1993}, pages={9025–9036} }
LibreCat
| DOI
1993 | Journal Article | LibreCat-ID: 13858
@article{Schmidt_Wenzien_Bechstedt_1993, title={AB initio calculation of the atomic and electronic structure for Sb adsorbed on GaAs(110)}, volume={43}, DOI={10.1007/bf01595293}, number={9–10}, journal={Czechoslovak Journal of Physics}, author={Schmidt, Wolf Gero and Wenzien, Bernd and Bechstedt, Friedhelm}, year={1993}, pages={1003–1007} }
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2021 | Journal Article | LibreCat-ID: 21946
@article{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2021, title={Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response}, volume={11}, DOI={10.3390/cryst11050542}, number={5542}, journal={Crystals}, publisher={MDPI}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2021} }
LibreCat
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2021 | Journal Article | LibreCat-ID: 22010
@article{Aldahhak_Hogan_Lindner_Appelfeller_Eisele_Schmidt_Dähne_Gerstmann_Franz_2021, title={Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy}, DOI={10.1103/physrevb.103.035303}, journal={Physical Review B}, author={Aldahhak, Hazem and Hogan, Conor and Lindner, Susi and Appelfeller, Stephan and Eisele, Holger and Schmidt, Wolf Gero and Dähne, Mario and Gerstmann, Uwe and Franz, Martin}, year={2021} }
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22008
@article{Plaickner_Speiser_Braun_Schmidt_Esser_Sanna_2021, title={Surface localized phonon modes at the Si(553)-Au nanowire system}, DOI={10.1103/physrevb.103.115441}, journal={Physical Review B}, author={Plaickner, Julian and Speiser, Eugen and Braun, Christian and Schmidt, Wolf Gero and Esser, Norbert and Sanna, Simone}, year={2021} }
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22009
@article{Ruiz Alvarado_Karmo_Runge_Schmidt_2021, title={InP and AlInP(001)(2 × 4) Surface Oxidation from Density Functional Theory}, DOI={10.1021/acsomega.0c06019}, journal={ACS Omega}, author={Ruiz Alvarado, Isaac Azahel and Karmo, Marsel and Runge, Erich and Schmidt, Wolf Gero}, year={2021}, pages={6297–6304} }
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22310
@article{Neufeld_Bocchini_Schmidt_2021, title={Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory}, DOI={10.1103/physrevmaterials.5.064407}, journal={Physical Review Materials}, author={Neufeld, Sergej and Bocchini, Adriana and Schmidt, Wolf Gero}, year={2021} }
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 24975
@article{Franz_Chandola_Koy_Zielinski_Aldahhak_Das_Freitag_Gerstmann_Liebig_Hoffmann_et al._2021, title={Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon}, DOI={10.1038/s41557-021-00721-2}, journal={Nature Chemistry}, author={Franz, Martin and Chandola, Sandhya and Koy, Maximilian and Zielinski, Robert and Aldahhak, Hazem and Das, Mowpriya and Freitag, Matthias and Gerstmann, Uwe and Liebig, Denise and Hoffmann, Adrian Karl and et al.}, year={2021}, pages={828–835} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19193
@article{Niederhausen_MacQueen_Lips_Aldahhak_Schmidt_Gerstmann_2020, title={Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon}, DOI={10.1021/acs.langmuir.0c01154}, journal={Langmuir}, author={Niederhausen, Jens and MacQueen, Rowan W. and Lips, Klaus and Aldahhak, Hazem and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020}, pages={9099–9113} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17066
@article{Aldahhak_Powroźnik_Pander_Jakubik_Dias_Schmidt_Gerstmann_Krzywiecki_2020, title={Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures}, DOI={10.1021/acs.jpcc.9b11116}, number={124}, journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias, Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej}, year={2020}, pages={6090–6102} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19194
@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, DOI={10.1103/physrevresearch.2.022024}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17067
@article{Speiser_Esser_Halbig_Geurts_Schmidt_Sanna_2020, title={Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures}, volume={75}, DOI={10.1016/j.surfrep.2020.100480}, number={1100480}, journal={Surface Science Reports}, author={Speiser, Eugen and Esser, Norbert and Halbig, Benedikt and Geurts, Jean and Schmidt, Wolf Gero and Sanna, Simone}, year={2020} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 22011
@article{Meier_Braun_Hannappel_Schmidt_2020, title={Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations}, DOI={10.1002/pssb.202000463}, number={2000463}, journal={physica status solidi (b)}, author={Meier, Lukas and Braun, Christian and Hannappel, Thomas and Schmidt, Wolf Gero}, year={2020} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19190
@article{Schmidt_Kozub_Biktagirov_Eigner_Silberhorn_Schindlmayr_Schmidt_Gerstmann_2020, title={Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations}, volume={2}, DOI={10.1103/PhysRevResearch.2.043002}, number={4043002}, journal={Physical Review Research}, publisher={American Physical Society}, author={Schmidt, Falko and Kozub, Agnieszka L. and Biktagirov, Timur and Eigner, Christof and Silberhorn, Christine and Schindlmayr, Arno and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }
LibreCat
| Files available
| DOI
| WoS
2020 | Journal Article | LibreCat-ID: 17070
@article{Navickas_Giriūnas_Kalendra_Biktagirov_Gerstmann_Schmidt_Mączka_Pöppl_Banys_Šimėnas_2020, title={Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework}, volume={22}, DOI={10.1039/d0cp01612h}, journal={Physical Chemistry Chemical Physics}, author={Navickas, Marius and Giriūnas, Laisvydas and Kalendra, Vidmantas and Biktagirov, Timur and Gerstmann, Uwe and Schmidt, Wolf Gero and Mączka, Mirosław and Pöppl, Andreas and Banys, Jūras and Šimėnas, Mantas}, year={2020}, pages={8513–8521} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17068
@article{Braun_Neufeld_Gerstmann_Sanna_Plaickner_Speiser_Esser_Schmidt_2020, title={Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces}, volume={124}, DOI={10.1103/physrevlett.124.146802}, number={14}, journal={Physical Review Letters}, author={Braun, Christian and Neufeld, Sergej and Gerstmann, Uwe and Sanna, S. and Plaickner, J. and Speiser, E. and Esser, N. and Schmidt, Wolf Gero}, year={2020} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19189
@article{Badalov_Wilhelm_Schmidt_2020, title={Photocatalytic properties of graphene‐supported titania clusters from density‐functional theory}, DOI={10.1002/jcc.26363}, journal={Journal of Computational Chemistry}, author={Badalov, Sabuhi V. and Wilhelm, René and Schmidt, Wolf Gero}, year={2020}, pages={1921–1930} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17069
@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, volume={2}, DOI={10.1103/physrevresearch.2.022024}, number={2}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19654
@article{Krenz_Gerstmann_Schmidt_2020, title={Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory}, DOI={10.1021/acsomega.0c03483}, journal={ACS Omega}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2020}, pages={24057–24063} }
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 20682
@article{Bocchini_Eigner_Silberhorn_Schmidt_Gerstmann_2020, title={Understanding gray track formation in KTP: $\mathrmTi^3+$ centers studied from first principles}, volume={4}, DOI={10.1103/PhysRevMaterials.4.124402}, journal={Phys. Rev. Materials}, publisher={American Physical Society}, author={Bocchini, Adriana and Eigner, Christof and Silberhorn, Christine and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020}, pages={124402} }
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 13429
@article{Bocchini_Neufeld_Gerstmann_Schmidt_2019, title={Oxygen and potassium vacancies in KTP calculated from first principles}, DOI={10.1088/1361-648x/ab295c}, number={385401}, journal={Journal of Physics: Condensed Matter}, author={Bocchini, Adriana and Neufeld, Sergej and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2019} }
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 10014
@article{Schmidt_Riefer_Schmidt_Schindlmayr_Imlau_Dobener_Mengel_Chatterjee_Sanna_2019, title={Quasiparticle and excitonic effects in the optical response of KNbO3}, volume={3}, DOI={10.1103/PhysRevMaterials.3.054401}, number={5054401}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Schmidt, Falko and Riefer, Arthur and Schmidt, Wolf Gero and Schindlmayr, Arno and Imlau, Mirco and Dobener, Florian and Mengel, Nils and Chatterjee, Sangam and Sanna, Simone}, year={2019} }
LibreCat
| Files available
| DOI
| WoS
2019 | Journal Article | LibreCat-ID: 10015
@article{Dues_Schmidt_Sanna_2019, title={Water Splitting Reaction at Polar Lithium Niobate Surfaces}, DOI={10.1021/acsomega.8b03271}, journal={ACS Omega}, author={Dues, Christof and Schmidt, Wolf Gero and Sanna, Simone}, year={2019}, pages={3850–3859} }
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 13401
@article{Nicholson_Puppin_Lücke_Gerstmann_Krenz_Schmidt_Rettig_Ernstorfer_Wolf_2019, title={Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy}, volume={99}, DOI={10.1103/physrevb.99.155107}, number={15}, journal={Physical Review B}, author={Nicholson, C. W. and Puppin, M. and Lücke, A. and Gerstmann, Uwe and Krenz, Marvin and Schmidt, Wolf Gero and Rettig, L. and Ernstorfer, R. and Wolf, M.}, year={2019} }
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 13365
@article{Neufeld_Bocchini_Gerstmann_Schindlmayr_Schmidt_2019, title={Potassium titanyl phosphate (KTP) quasiparticle energies and optical response}, volume={2}, DOI={10.1088/2515-7639/ab29ba}, number={4045003}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Neufeld, Sergej and Bocchini, Adriana and Gerstmann, Uwe and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2019} }
LibreCat
| Files available
| DOI
| WoS
2018 | Journal Article | LibreCat-ID: 10019
@article{Aldahhak_Paszkiewicz_Rauls_Allegretti_Tebi_Papageorgiou_Zhang_Zhang_Lin_Paintner_et al._2018, title={Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)}, DOI={10.1002/chem.201705921}, journal={Chemistry - A European Journal}, author={Aldahhak, Hazem and Paszkiewicz, M. and Rauls, E. and Allegretti, F. and Tebi, S. and Papageorgiou, A. C. and Zhang, Y.-Q. and Zhang, L. and Lin, T. and Paintner, T. and et al.}, year={2018}, pages={6787–6797} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 13405
@article{Müller_Karhan_Krack_Gerstmann_Schmidt_Bauer_Kühne_2018, title={Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes}, DOI={10.1002/jcc.25641}, journal={Journal of Computational Chemistry}, author={Müller, Patrick and Karhan, Kristof and Krack, Matthias and Gerstmann, Uwe and Schmidt, Wolf Gero and Bauer, Matthias and Kühne, Thomas D.}, year={2018}, pages={712–716} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 17065
@article{Esser_Schmidt_2018, title={Electric Field Induced Raman Scattering at the Sb–InP(110) Interface: The Surface Dipole Contribution}, DOI={10.1002/pssb.201800314}, number={2561800314}, journal={physica status solidi (b)}, author={Esser, Norbert and Schmidt, Wolf Gero}, year={2018} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 13406
@article{Mamiyev_Lichtenstein_Tegenkamp_Braun_Schmidt_Sanna_Pfnür_2018, title={Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation}, volume={2}, DOI={10.1103/physrevmaterials.2.066002}, number={6}, journal={Physical Review Materials}, author={Mamiyev, Z. and Lichtenstein, T. and Tegenkamp, C. and Braun, Christian and Schmidt, Wolf Gero and Sanna, S. and Pfnür, H.}, year={2018} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 13413
@article{Seino_Sanna_Schmidt_2018, title={Temperature stabilizes rough Au/Ge(001) surface reconstructions}, volume={667}, DOI={10.1016/j.susc.2017.10.005}, journal={Surface Science}, author={Seino, Kaori and Sanna, Simone and Schmidt, Wolf Gero}, year={2018}, pages={101–104} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 10016
@article{Paszkiewicz_Biktagirov_Aldahhak_Allegretti_Rauls_Schöfberger_Schmidt_Barth_Gerstmann_Klappenberger_2018, title={Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis}, DOI={10.1021/acs.jpclett.8b02525}, journal={The Journal of Physical Chemistry Letters}, author={Paszkiewicz, Mateusz and Biktagirov, Timur and Aldahhak, Hazem and Allegretti, Francesco and Rauls, Eva and Schöfberger, Wolfgang and Schmidt, Wolf Gero and Barth, Johannes V. and Gerstmann, Uwe and Klappenberger, Florian}, year={2018}, pages={6412–6420} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 13407
@article{Naumova_Khakhulin_Rebarz_Rohrmüller_Dicke_Biednov_Britz_Espinoza_Grimm-Lebsanft_Kloz_et al._2018, title={Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(i)–disulfide complex}, DOI={10.1039/c7cp04880g}, journal={Physical Chemistry Chemical Physics}, author={Naumova, Maria and Khakhulin, Dmitry and Rebarz, Mateusz and Rohrmüller, Martin and Dicke, Benjamin and Biednov, Mykola and Britz, Alexander and Espinoza, Shirly and Grimm-Lebsanft, Benjamin and Kloz, Miroslav and et al.}, year={2018}, pages={6274–6286} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 10012
@article{Esser_Schmidt_2018, title={Electric Field Induced Raman Scattering at the Sb-InP(110) Interface: The Surface Dipole Contribution}, DOI={10.1002/pssb.201800314}, number={1800314}, journal={physica status solidi (b)}, author={Esser, Norbert and Schmidt, Wolf Gero}, year={2018} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 13403
@article{Biktagirov_Schmidt_Gerstmann_Yavkin_Orlinskii_Baranov_Dyakonov_Soltamov_2018, title={Polytypism driven zero-field splitting of silicon vacancies in 6H-SiC}, volume={98}, DOI={10.1103/physrevb.98.195204}, number={19}, journal={Physical Review B}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe and Yavkin, Boris and Orlinskii, Sergei and Baranov, Pavel and Dyakonov, Vladimir and Soltamov, Victor}, year={2018} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 13410
@article{Friedrich_Schmidt_Schindlmayr_Sanna_2018, title={Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]}, volume={2}, DOI={10.1103/PhysRevMaterials.2.019902}, number={1019902}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2018} }
LibreCat
| Files available
| DOI
| WoS
2018 | Journal Article | LibreCat-ID: 10013
@article{Nicholson_Lücke_Schmidt_Puppin_Rettig_Ernstorfer_Wolf_2018, title={Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition}, DOI={10.1126/science.aar4183}, journal={Science}, author={Nicholson, C. W. and Lücke, A. and Schmidt, Wolf Gero and Puppin, M. and Rettig, L. and Ernstorfer, R. and Wolf, M.}, year={2018}, pages={821–825} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 13404
@article{Braun_Gerstmann_Schmidt_2018, title={Spin pairing versus spin chains at Si(553)-Au surfaces}, volume={98}, DOI={10.1103/physrevb.98.121402}, number={12}, journal={Physical Review B}, author={Braun, Christian and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2018} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 13409
@article{Biktagirov_Schmidt_Gerstmann_2018, title={Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy}, volume={97}, DOI={10.1103/physrevb.97.115135}, number={11}, journal={Physical Review B}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2018} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 13411
@article{Halbig_Liebhaber_Bass_Geurts_Speiser_Räthel_Chandola_Esser_Krenz_Neufeld_et al._2018, title={Vibrational properties of the Au-(3×3)/Si(111) surface reconstruction}, volume={97}, DOI={10.1103/physrevb.97.035412}, number={3}, journal={Physical Review B}, author={Halbig, B. and Liebhaber, M. and Bass, U. and Geurts, J. and Speiser, E. and Räthel, J. and Chandola, S. and Esser, N. and Krenz, Marvin and Neufeld, Sergej and et al.}, year={2018} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 13430
@article{Lichtenstein_Mamiyev_Braun_Sanna_Schmidt_Tegenkamp_Pfnür_2018, title={Probing quasi-one-dimensional band structures by plasmon spectroscopy}, volume={97}, DOI={10.1103/physrevb.97.165421}, number={16}, journal={Physical Review B}, author={Lichtenstein, T. and Mamiyev, Z. and Braun, Christian and Sanna, S. and Schmidt, Wolf Gero and Tegenkamp, C. and Pfnür, H.}, year={2018} }
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 10018
@article{Schmidt_Bühler_Heinrich_Allerbeck_Podzimski_Berghoff_Meier_Schmidt_Reichl_Wegscheider_et al._2018, title={Signatures of transient Wannier-Stark localization in bulk gallium arsenide}, volume={9}, DOI={10.1038/s41467-018-05229-x}, journal={Nature Communications}, author={Schmidt, Claudia and Bühler, J. and Heinrich, A.-C. and Allerbeck, J. and Podzimski, R. and Berghoff, Daniel and Meier, Torsten and Schmidt, Wolf Gero and Reichl, C. and Wegscheider, W. and et al.}, year={2018}, pages={2890} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13412
@article{Konieczna_Biller_Witte_Schmidt_Neuba_Wilhelm_2017, title={New pyridinium based ionic dyes for the hydrogen evolution reaction}, DOI={10.1016/j.tet.2017.11.053}, journal={Tetrahedron}, author={Konieczna, Dagny D. and Biller, Harry and Witte, Matthias and Schmidt, Wolf Gero and Neuba, Adam and Wilhelm, René}, year={2017}, pages={142–149} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13417
@article{Lücke_Gerstmann_Kühne_Schmidt_2017, title={Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition}, DOI={10.1002/jcc.24878}, journal={Journal of Computational Chemistry}, author={Lücke, Andreas and Gerstmann, Uwe and Kühne, Thomas D. and Schmidt, Wolf Gero}, year={2017}, pages={2276–2282} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13424
@article{Aldahhak_Paszkiewicz_Allegretti_Duncan_Tebi_Deimel_Casado Aguilar_Zhang_Papageorgiou_Koch_et al._2017, title={X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization}, volume={121}, DOI={10.1021/acs.jpcc.6b09935}, journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Paszkiewicz, M. and Allegretti, F. and Duncan, D. A. and Tebi, S. and Deimel, P. S. and Casado Aguilar, P. and Zhang, Y.-Q. and Papageorgiou, A. C. and Koch, R. and et al.}, year={2017}, pages={2192–2200} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10021
@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory}, volume={1}, DOI={10.1103/PhysRevMaterials.1.034401}, number={3034401}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2017} }
LibreCat
| Files available
| DOI
| WoS
2017 | Journal Article | LibreCat-ID: 7481
@article{Riefer_Weber_Mund_Yakovlev_Bayer_Schindlmayr_Meier_Schmidt_2017, title={Zn–VI quasiparticle gaps and optical spectra from many-body calculations}, volume={29}, DOI={10.1088/1361-648x/aa6b2a}, number={21215702}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Riefer, Arthur and Weber, Nils and Mund, Johannes and Yakovlev, Dmitri R. and Bayer, Manfred and Schindlmayr, Arno and Meier, Cedrik and Schmidt, Wolf Gero}, year={2017} }
LibreCat
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2017 | Journal Article | LibreCat-ID: 13418
@article{Sanna_Schmidt_2017, title={LiNbO3 surfaces from a microscopic perspective}, DOI={10.1088/1361-648x/aa818d}, number={413001}, journal={Journal of Physics: Condensed Matter}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13420
@article{Nozaki_Schmidt_2017, title={Current density analysis of electron transport through molecular wires in open quantum systems}, volume={38}, DOI={10.1002/jcc.24812}, journal={Journal of Computational Chemistry}, author={Nozaki, Daijiro and Schmidt, Wolf Gero}, year={2017}, pages={1685–1692} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13425
@article{Rohrmüller_Schmidt_Gerstmann_2017, title={Electron paramagnetic resonance calculations for hydrogenated Si surfaces}, volume={95}, DOI={10.1103/physrevb.95.125310}, number={12}, journal={Physical Review B}, author={Rohrmüller, M. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13414
@article{Riefer_Schmidt_2017, title={Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides}, volume={96}, DOI={10.1103/physrevb.96.235206}, number={23}, journal={Physical Review B}, author={Riefer, A. and Schmidt, Wolf Gero}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13419
@article{Frigge_Hafke_Witte_Krenzer_Streubühr_Samad Syed_Mikšić Trontl_Avigo_Zhou_Ligges_et al._2017, title={Optically excited structural transition in atomic wires on surfaces at the quantum limit}, volume={544}, DOI={10.1038/nature21432}, journal={Nature}, author={Frigge, T. and Hafke, B. and Witte, T. and Krenzer, B. and Streubühr, C. and Samad Syed, A. and Mikšić Trontl, V. and Avigo, I. and Zhou, P. and Ligges, M. and et al.}, year={2017}, pages={207–211} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13426
@article{Edler_Miccoli_Stöckmann_Pfnür_Braun_Neufeld_Sanna_Schmidt_Tegenkamp_2017, title={Tuning the conductivity along atomic chains by selective chemisorption}, volume={95}, DOI={10.1103/physrevb.95.125409}, number={12}, journal={Physical Review B}, author={Edler, F. and Miccoli, I. and Stöckmann, J. P. and Pfnür, H. and Braun, Christian and Neufeld, Sergej and Sanna, S. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10023
@article{Schmidt_Landmann_Rauls_Argiolas_Sanna_Schmidt_Schindlmayr_2017, title={Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory}, volume={2017}, DOI={10.1155/2017/3981317}, number={3981317}, journal={Advances in Materials Science and Engineering}, publisher={Hindawi}, author={Schmidt, Falko and Landmann, Marc and Rauls, Eva and Argiolas, Nicola and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2017} }
LibreCat
| Files available
| DOI
| WoS
2017 | Journal Article | LibreCat-ID: 13415
@article{Braun_Hogan_Chandola_Esser_Sanna_Schmidt_2017, title={Si(775)-Au atomic chains: Geometry, optical properties, and spin order}, volume={1}, DOI={10.1103/physrevmaterials.1.055002}, number={5}, journal={Physical Review Materials}, author={Braun, Christian and Hogan, Conor and Chandola, Sandhya and Esser, Norbert and Sanna, Simone and Schmidt, Wolf Gero}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13422
@article{Witte_Rohrmüller_Gerstmann_Henkel_Schmidt_Herres-Pawlis_2017, title={[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus}, DOI={10.1002/jcc.24798}, journal={Journal of Computational Chemistry}, author={Witte, Matthias and Rohrmüller, Martin and Gerstmann, Uwe and Henkel, Gerald and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}, year={2017}, pages={1752–1761} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13427
@article{Nozaki_Lücke_Schmidt_2017, title={Molecular Orbital Rule for Quantum Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching Induced by Orbital Level Crossing}, DOI={10.1021/acs.jpclett.6b02989}, journal={The Journal of Physical Chemistry Letters}, author={Nozaki, Daijiro and Lücke, Andreas and Schmidt, Wolf Gero}, year={2017}, pages={727–732} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10020
@article{Landmann_Rauls_Schmidt_2017, title={Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites}, DOI={10.1103/physrevb.95.155310}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13423
@article{Tebi_Paszkiewicz_Aldahhak_Allegretti_Gonglach_Haas_Waser_Deimel_Aguilar_Zhang_et al._2017, title={On-Surface Site-Selective Cyclization of Corrole Radicals}, DOI={10.1021/acsnano.7b00766}, journal={ACS Nano}, author={Tebi, Stefano and Paszkiewicz, Mateusz and Aldahhak, Hazem and Allegretti, Francesco and Gonglach, Sabrina and Haas, Michael and Waser, Mario and Deimel, Peter S. and Aguilar, Pablo Casado and Zhang, Yi-Qi and et al.}, year={2017}, pages={3383–3391} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13416
@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory}, volume={1}, DOI={10.1103/PhysRevMaterials.1.054406}, number={5054406}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2017} }
LibreCat
| Files available
| DOI
| WoS
2016 | Journal Article | LibreCat-ID: 10026
@article{Rüsing_Sanna_Neufeld_Berth_Schmidt_Zrenner_Yu_Wang_Zhang_2016, title={Vibrational properties ofLiNb1−xTaxO3mixed crystals}, DOI={10.1103/physrevb.93.184305}, journal={Physical Review B}, author={Rüsing, M. and Sanna, S. and Neufeld, Sergej and Berth, Gerhard and Schmidt, Wolf Gero and Zrenner, Artur and Yu, H. and Wang, Y. and Zhang, H.}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13479
@article{Lücke_Ortmann_Panhans_Sanna_Rauls_Gerstmann_Schmidt_2016, title={Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles}, volume={120}, DOI={10.1021/acs.jpcb.6b03598}, journal={The Journal of Physical Chemistry B}, author={Lücke, Andreas and Ortmann, Frank and Panhans, Michel and Sanna, Simone and Rauls, Eva and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2016}, pages={5572–5580} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13481
@article{Jeckelmann_Sanna_Schmidt_Speiser_Esser_2016, title={Grand canonical Peierls transition in In/Si(111)}, volume={93}, DOI={10.1103/physrevb.93.241407}, number={24}, journal={Physical Review B}, author={Jeckelmann, Eric and Sanna, Simone and Schmidt, Wolf Gero and Speiser, Eugen and Esser, Norbert}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13816
@article{Yeom_Oh_Wippermann_Schmidt_2016, title={Impurity-Mediated Early Condensation of a Charge Density Wave in an Atomic Wire Array}, volume={10}, DOI={10.1021/acsnano.5b05925}, journal={ACS Nano}, author={Yeom, Han Woong and Oh, Deok Mahn and Wippermann, Stefan and Schmidt, Wolf Gero}, year={2016}, pages={810–814} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13475
@article{Timmer_Oelke_Dues_Sanna_Schmidt_Franz_Appelfeller_Dähne_Wollschläger_2016, title={Strain-induced quasi-one-dimensional rare-earth silicide structures on Si(111)}, volume={94}, DOI={10.1103/physrevb.94.205431}, number={20}, journal={Physical Review B}, author={Timmer, F. and Oelke, R. and Dues, C. and Sanna, S. and Schmidt, Wolf Gero and Franz, M. and Appelfeller, S. and Dähne, M. and Wollschläger, J.}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13476
@article{Vollmers_Müller_Hoffmann_Herres-Pawlis_Rohrmüller_Schmidt_Gerstmann_Bauer_2016, title={Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State}, volume={55}, DOI={10.1021/acs.inorgchem.6b01704}, journal={Inorganic Chemistry}, author={Vollmers, Nora Jenny and Müller, Patrick and Hoffmann, Alexander and Herres-Pawlis, Sonja and Rohrmüller, Martin and Schmidt, Wolf Gero and Gerstmann, Uwe and Bauer, Matthias}, year={2016}, pages={11694–11706} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13488
@article{Miccoli_Edler_Pfnür_Appelfeller_Dähne_Holtgrewe_Sanna_Schmidt_Tegenkamp_2016, title={Atomic size effects studied by transport in single silicide nanowires}, DOI={10.1103/physrevb.93.125412}, journal={Physical Review B}, author={Miccoli, I. and Edler, F. and Pfnür, H. and Appelfeller, S. and Dähne, M. and Holtgrewe, K. and Sanna, S. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13458
@article{Liebhaber_Halbig_Bass_Geurts_Neufeld_Sanna_Schmidt_Speiser_Räthel_Chandola_et al._2016, title={Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles calculations}, volume={94}, DOI={10.1103/physrevb.94.235304}, number={23}, journal={Physical Review B}, author={Liebhaber, M. and Halbig, B. and Bass, U. and Geurts, J. and Neufeld, Sergej and Sanna, S. and Schmidt, Wolf Gero and Speiser, E. and Räthel, J. and Chandola, S. and et al.}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13477
@article{Witte_Grimm-Lebsanft_Goos_Binder_Rübhausen_Bernard_Neuba_Gorelsky_Gerstmann_Henkel_et al._2016, title={Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2}, volume={37}, DOI={10.1002/jcc.24439}, number={23–24}, journal={Journal of Computational Chemistry}, author={Witte, Matthias and Grimm-Lebsanft, Benjamin and Goos, Arne and Binder, Stephan and Rübhausen, Michael and Bernard, Martin and Neuba, Adam and Gorelsky, Serge and Gerstmann, Uwe and Henkel, Gerald and et al.}, year={2016}, pages={2181–2192} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13491
@article{Schöfberger_Faschinger_Chattopadhyay_Bhakta_Mondal_Elemans_Müllegger_Tebi_Koch_Klappenberger_et al._2016, title={A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water}, DOI={10.1002/anie.201508404}, journal={Angewandte Chemie International Edition}, author={Schöfberger, Wolfgang and Faschinger, Felix and Chattopadhyay, Samir and Bhakta, Snehadri and Mondal, Biswajit and Elemans, Johannes A. A. W. and Müllegger, Stefan and Tebi, Stefano and Koch, Reinhold and Klappenberger, Florian and et al.}, year={2016}, pages={2350–2355} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 10024
@article{Riefer_Friedrich_Sanna_Gerstmann_Schindlmayr_Schmidt_2016, title={LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects}, volume={93}, DOI={10.1103/PhysRevB.93.075205}, number={7075205}, journal={Physical Review B}, publisher={American Physical Society}, author={Riefer, Arthur and Friedrich, Michael and Sanna, Simone and Gerstmann, Uwe and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2016} }
LibreCat
| Files available
| DOI
| WoS
2016 | Journal Article | LibreCat-ID: 13478
@article{Speiser_Esser_Wippermann_Schmidt_2016, title={Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires}, volume={94}, DOI={10.1103/physrevb.94.075417}, number={7}, journal={Physical Review B}, author={Speiser, E. and Esser, N. and Wippermann, S. and Schmidt, Wolf Gero}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13480
@article{Paulheim_Marquardt_Aldahhak_Rauls_Schmidt_Sokolowski_2016, title={Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces}, volume={10}, DOI={10.1021/acs.jpcc.6b01956}, journal={The Journal of Physical Chemistry C}, author={Paulheim, A. and Marquardt, C. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero and Sokolowski, M.}, year={2016}, pages={11926–11937} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13485
@article{Sanna_Dues_Schmidt_Timmer_Wollschläger_Franz_Appelfeller_Dähne_2016, title={Rare-earth silicide thin films on the Si(111) surface}, volume={93}, DOI={10.1103/physrevb.93.195407}, number={19}, journal={Physical Review B}, author={Sanna, S. and Dues, C. and Schmidt, Wolf Gero and Timmer, F. and Wollschläger, J. and Franz, M. and Appelfeller, S. and Dähne, M.}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13492
@article{Tebi_Aldahhak_Serrano_Schöfberger_Rauls_Schmidt_Koch_Müllegger_2016, title={Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)}, volume={27}, DOI={10.1088/0957-4484/27/2/025704}, number={025704}, journal={Nanotechnology}, author={Tebi, Stefano and Aldahhak, Hazem and Serrano, Giulia and Schöfberger, Wolfgang and Rauls, Eva and Schmidt, Wolf Gero and Koch, Reinhold and Müllegger, Stefan}, year={2016} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13815
@article{Paulheim_Marquardt_Sokolowski_Hochheim_Bredow_Aldahhak_Rauls_Schmidt_2016, title={Surface induced vibrational modes in the fluorescence spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces}, volume={18}, DOI={10.1039/c6cp05661j}, journal={Physical Chemistry Chemical Physics}, author={Paulheim, A. and Marquardt, C. and Sokolowski, M. and Hochheim, M. and Bredow, T. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2016}, pages={32891–32902} }
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 10025
@article{Friedrich_Schindlmayr_Schmidt_Sanna_2016, title={LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles}, volume={253}, DOI={10.1002/pssb.201552576}, number={4}, journal={Physica Status Solidi B}, publisher={Wiley-VCH}, author={Friedrich, Michael and Schindlmayr, Arno and Schmidt, Wolf Gero and Sanna, Simone}, year={2016}, pages={683–689} }
LibreCat
| Files available
| DOI
| WoS
2015 | Journal Article | LibreCat-ID: 10033
@article{Sanna_Dues_Schmidt_2015, title={Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles}, DOI={10.1016/j.commatsci.2015.03.025}, journal={Computational Materials Science}, author={Sanna, S. and Dues, C. and Schmidt, Wolf Gero}, year={2015}, pages={145–150} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13493
@article{Müllegger_Rauls_Gerstmann_Tebi_Serrano_Wiespointner-Baumgarthuber_Schmidt_Koch_2015, title={Mechanism for nuclear and electron spin excitation by radio frequency current}, volume={92}, DOI={10.1103/physrevb.92.220418}, number={22}, journal={Physical Review B}, author={Müllegger, Stefan and Rauls, Eva and Gerstmann, Uwe and Tebi, Stefano and Serrano, Giulia and Wiespointner-Baumgarthuber, Stefan and Schmidt, Wolf Gero and Koch, Reinhold}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13498
@article{Rohrmüller_Hoffmann_Thierfelder_Herres-Pawlis_Schmidt_2015, title={The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†}, volume={36}, DOI={10.1002/jcc.23983}, number={21–22}, journal={Journal of Computational Chemistry}, author={Rohrmüller, Martin and Hoffmann, Alexander and Thierfelder, Christian and Herres-Pawlis, Sonja and Schmidt, Wolf Gero}, year={2015}, pages={1672–1685} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13506
@article{Sanson_Zaltron_Argiolas_Sada_Bazzan_Schmidt_Sanna_2015, title={Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals}, volume={91}, DOI={10.1103/physrevb.91.094109}, journal={Physical Review B}, author={Sanson, A. and Zaltron, A. and Argiolas, N. and Sada, C. and Bazzan, M. and Schmidt, Wolf Gero and Sanna, S.}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10027
@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane: Atomic structure, surface bands, and optical response}, DOI={10.1103/physrevb.91.035302}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13494
@article{Aldahhak_Schmidt_Rauls_2015, title={Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces}, DOI={10.1016/j.susc.2015.01.013}, journal={Surface Science}, author={Aldahhak, Hazem and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={278–281} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13499
@article{Thissen_Fuchs_Roodenko_Peixoto_Batchelor_Smith_Schmidt_Chabal_2015, title={Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol}, volume={119}, DOI={10.1021/acs.jpcc.5b03816}, journal={The Journal of Physical Chemistry C}, author={Thissen, Peter and Fuchs, Ehud and Roodenko, Katy and Peixoto, Tatiana and Batchelor, Ben and Smith, Dennis and Schmidt, Wolf Gero and Chabal, Yves}, year={2015}, pages={16947–16953} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13502
@article{Klein_Vollmers_Gerstmann_Zahl_Lükermann_Jnawali_Pfnür_Tegenkamp_Sutter_Schmidt_et al._2015, title={Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films}, volume={91}, DOI={10.1103/physrevb.91.195441}, number={19}, journal={Physical Review B}, author={Klein, C. and Vollmers, N. J. and Gerstmann, Uwe and Zahl, P. and Lükermann, D. and Jnawali, G. and Pfnür, H. and Tegenkamp, C. and Sutter, P. and Schmidt, Wolf Gero and et al.}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13507
@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane: Atomic structure, surface bands, and optical response}, volume={91}, DOI={10.1103/physrevb.91.035302}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13495
@article{Aldahhak_Rauls_Schmidt_2015, title={Diindenoperylene adsorption on Cu(111) studied with density-functional theory}, DOI={10.1016/j.susc.2015.03.007}, journal={Surface Science}, author={Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2015}, pages={260–265} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13818
@article{Neuba_Rohrmüller_Hölscher_Schmidt_Henkel_2015, title={A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry}, volume={430}, DOI={10.1016/j.ica.2015.03.015}, journal={Inorganica Chimica Acta}, author={Neuba, Adam and Rohrmüller, Martin and Hölscher, Rebecca and Schmidt, Wolf Gero and Henkel, Gerald}, year={2015}, pages={225–238} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10030
@article{Friedrich_Riefer_Sanna_Schmidt_Schindlmayr_2015, title={Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory}, volume={27}, DOI={10.1088/0953-8984/27/38/385402}, number={38385402}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Friedrich, Michael and Riefer, Arthur and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2015} }
LibreCat
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2015 | Journal Article | LibreCat-ID: 10029
@article{Braun_Sanna_Schmidt_2015, title={Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces}, DOI={10.1021/acs.jpcc.5b00894}, journal={The Journal of Physical Chemistry C}, author={Braun, Christian and Sanna, Simone and Schmidt, Wolf Gero}, year={2015}, pages={9342–9346} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10031
@article{Li_Schmidt_Sanna_2015, title={Defect complexes in congruentLiNbO3and their optical signatures}, DOI={10.1103/physrevb.91.174106}, journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero and Sanna, Simone}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13496
@article{Edler_Miccoli_Demuth_Pfnür_Wippermann_Lücke_Schmidt_Tegenkamp_2015, title={Interwire coupling forIn(4×1)/Si(111) probed by surface transport}, volume={92}, DOI={10.1103/physrevb.92.085426}, number={8}, journal={Physical Review B}, author={Edler, F. and Miccoli, I. and Demuth, S. and Pfnür, H. and Wippermann, S. and Lücke, A. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 10032
@article{Sanna_Neufeld_Rüsing_Berth_Zrenner_Schmidt_2015, title={Raman scattering efficiency inLiTaO3andLiNbO3crystals}, DOI={10.1103/physrevb.91.224302}, journal={Physical Review B}, author={Sanna, Simone and Neufeld, Sergej and Rüsing, M. and Berth, Gerhard and Zrenner, Artur and Schmidt, Wolf Gero}, year={2015} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13497
@article{Baghbanpourasl_Schmidt_Denk_Cobet_Hohage_Zeppenfeld_Hingerl_2015, title={Water adsorbate influence on the Cu(110) surface optical response}, volume={641}, DOI={10.1016/j.susc.2015.07.020}, journal={Surface Science}, author={Baghbanpourasl, Amirreza and Schmidt, Wolf Gero and Denk, Mariella and Cobet, Christoph and Hohage, Michael and Zeppenfeld, Peter and Hingerl, Kurt}, year={2015}, pages={231–236} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13500
@article{Lücke_Schmidt_Rauls_Ortmann_Gerstmann_2015, title={Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT}, volume={119}, DOI={10.1021/acs.jpcb.5b03615}, journal={The Journal of Physical Chemistry B}, author={Lücke, A. and Schmidt, Wolf Gero and Rauls, E. and Ortmann, F. and Gerstmann, Uwe}, year={2015}, pages={6481–6491} }
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13505
@article{Aldahhak_Matencio_Barrena_Ocal_Schmidt_Rauls_2015, title={Structure formation in diindenoperylene thin films on copper(111)}, volume={17}, DOI={10.1039/c4cp05271d}, journal={Physical Chemistry Chemical Physics}, author={Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={8776–8783} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13513
@article{Gerstmann_Vollmers_Lücke_Babilon_Schmidt_2014, title={Rashba splitting and relativistic energy shifts in In/Si(111) nanowires}, volume={89}, DOI={10.1103/physrevb.89.165431}, number={16}, journal={Physical Review B}, author={Gerstmann, Uwe and Vollmers, N. J. and Lücke, A. and Babilon, M. and Schmidt, Wolf Gero}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13514
@article{Li_Schmidt_Sanna_2014, title={IntrinsicLiNbO3point defects from hybrid density functional calculations}, volume={89}, DOI={10.1103/physrevb.89.094111}, number={9}, journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero and Sanna, S.}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 10035
@article{Li_Sanna_Schmidt_2014, title={Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model}, DOI={10.1063/1.4883737}, number={234113}, journal={The Journal of Chemical Physics}, author={Li, Yanlu and Sanna, Simone and Schmidt, Wolf Gero}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13508
@article{Guo_Paulheim_Sokolowski_Aldahhak_Rauls_Schmidt_2014, title={Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface}, volume={118}, DOI={10.1021/jp509663s}, journal={The Journal of Physical Chemistry C}, author={Guo, Q. and Paulheim, A. and Sokolowski, M. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2014}, pages={29911–29918} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13510
@article{Hoffmann_Rohrmüller_Jesser_dos Santos Vieira_Schmidt_Herres-Pawlis_2014, title={Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)}, volume={35}, DOI={10.1002/jcc.23740}, number={29–30}, journal={Journal of Computational Chemistry}, author={Hoffmann, Alexander and Rohrmüller, Martin and Jesser, Anton and dos Santos Vieira, Ines and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}, year={2014}, pages={2146–2161} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13515
@article{Sanna_Hölscher_Schmidt_2014, title={Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge}, DOI={10.1016/j.apsusc.2014.01.104}, journal={Applied Surface Science}, author={Sanna, S. and Hölscher, R. and Schmidt, Wolf Gero}, year={2014}, pages={70–78} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 10036
@article{Hölscher_Schmidt_Sanna_2014, title={Modeling LiNbO3 Surfaces at Ambient Conditions}, DOI={10.1021/jp502936f}, journal={The Journal of Physical Chemistry C}, author={Hölscher, Rebecca and Schmidt, Wolf Gero and Sanna, Simone}, year={2014}, pages={10213–10220} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13509
@article{Oh_Wippermann_Schmidt_Yeom_2014, title={Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations}, volume={90}, DOI={10.1103/physrevb.90.155432}, number={15}, journal={Physical Review B}, author={Oh, Deok Mahn and Wippermann, S. and Schmidt, Wolf Gero and Yeom, Han Woong}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13511
@article{Landmann_Köhler_Rauls_Frauenheim_Schmidt_2014, title={The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides}, volume={26}, DOI={10.1088/0953-8984/26/25/253201}, number={253201}, journal={Journal of Physics: Condensed Matter}, author={Landmann, M and Köhler, T and Rauls, E and Frauenheim, T and Schmidt, Wolf Gero}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13516
@article{Sanna_Schmidt_Rode_Klassen_Kühnle_2014, title={Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory}, volume={89}, DOI={10.1103/physrevb.89.075403}, number={7}, journal={Physical Review B}, author={Sanna, S. and Schmidt, Wolf Gero and Rode, S. and Klassen, S. and Kühnle, A.}, year={2014} }
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13512
@article{Sanna_Schmidt_Thissen_2014, title={Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)}, volume={118}, DOI={10.1021/jp500170t}, journal={The Journal of Physical Chemistry C}, author={Sanna, Simone and Schmidt, Wolf Gero and Thissen, Peter}, year={2014}, pages={8007–8013} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13518
@article{Frigge_Wall_Krenzer_Wippermann_Sanna_Klasing_Hanisch-Blicharski_Kammler_Schmidt_Horn-von Hoegen_2013, title={Friggeet al.Reply:}, volume={111}, DOI={10.1103/physrevlett.111.149602}, journal={Physical Review Letters}, author={Frigge, T. and Wall, S. and Krenzer, B. and Wippermann, St. and Sanna, S. and Klasing, F. and Hanisch-Blicharski, A. and Kammler, M. and Schmidt, Wolf Gero and Horn-von Hoegen, M.}, year={2013}, pages={149602} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13520
@article{Sanna_Riefer_Neufeld_Schmidt_Berth_Rüsing_Widhalm_Zrenner_2013, title={Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals}, volume={447}, DOI={10.1080/00150193.2013.821893}, journal={Ferroelectrics}, author={Sanna, S. and Riefer, A. and Neufeld, Sergej and Schmidt, Wolf Gero and Berth, Gerhard and Rüsing, M. and Widhalm, A. and Zrenner, Artur}, year={2013}, pages={63–68} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13525
@article{Riefer_Sanna_Schindlmayr_Schmidt_2013, title={Optical response of stoichiometric and congruent lithium niobate from first-principles calculations}, volume={87}, DOI={10.1103/PhysRevB.87.195208}, number={19195208}, journal={Physical Review B}, publisher={American Physical Society}, author={Riefer, Arthur and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2013} }
LibreCat
| Files available
| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 13521
@article{Sanna_Rode_Hölscher_Klassen_Marutschke_Kobayashi_Yamada_Schmidt_Kühnle_2013, title={Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces}, volume={88}, DOI={10.1103/physrevb.88.115422}, journal={Physical Review B}, author={Sanna, S. and Rode, S. and Hölscher, R. and Klassen, S. and Marutschke, C. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero and Kühnle, A.}, year={2013} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13526
@article{Eberhard_Stoll_Brockhinke_Neumann_Stammler_Riefer_Rauls_Schmidt_Mattay_2013, title={Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview}, volume={15}, DOI={10.1039/c2ce26388b}, number={214225}, journal={CrystEngComm}, author={Eberhard, Jens and Stoll, Ion and Brockhinke, Regina and Neumann, Beate and Stammler, Hans-Georg and Riefer, Arthur and Rauls, Eva and Schmidt, Wolf Gero and Mattay, Jochen}, year={2013} }
LibreCat
| DOI
2013 | Book Chapter | LibreCat-ID: 18475
@inbook{Riefer_Rohrmüller_Landmann_Sanna_Rauls_Vollmers_Hölscher_Witte_Li_Gerstmann_et al._2013, place={Cham}, series={Transactions of the High Performance Computing Center, Stuttgart}, title={Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations}, DOI={10.1007/978-3-319-02165-2_8}, booktitle={High Performance Computing in Science and Engineering ‘13}, publisher={Springer}, author={Riefer, Arthur and Rohrmüller, Martin and Landmann, Marc and Sanna, Simone and Rauls, Eva and Vollmers, Nora Jenny and Hölscher, Rebecca and Witte, Matthias and Li, Yanlu and Gerstmann, Uwe and et al.}, editor={Nagel, Wolfgang E. and Kröner, Dietmar H. and Resch, Michael M.Editors}, year={2013}, pages={93–104}, collection={Transactions of the High Performance Computing Center, Stuttgart} }
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| Files available
| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 13522
@article{Aldahhak_Schmidt_Rauls_2013, title={Adsorption of PTCDA on NaCl(100) and KCl(100)}, volume={617}, DOI={10.1016/j.susc.2013.08.003}, journal={Surface Science}, author={Aldahhak, Hazem and Schmidt, Wolf Gero and Rauls, E.}, year={2013}, pages={242–248} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13527
@article{Rohrmüller_Herres-Pawlis_Witte_Schmidt_2013, title={Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory}, volume={34}, DOI={10.1002/jcc.23230}, journal={Journal of Computational Chemistry}, author={Rohrmüller, M. and Herres-Pawlis, S. and Witte, M. and Schmidt, Wolf Gero}, year={2013}, pages={1035–1045} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13523
@article{Longo_Cho_Schmidt_Chabal_Thissen_2013, title={Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations}, volume={23}, DOI={10.1002/adfm.201202808}, journal={Advanced Functional Materials}, author={Longo, Roberto C. and Cho, Kyeongjae and Schmidt, Wolf Gero and Chabal, Yves J. and Thissen, Peter}, year={2013}, pages={3471–3477} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13528
@article{George_Behrends_Schnegg_Schulze_Fehr_Korte_Rech_Lips_Rohrmüller_Rauls_et al._2013, title={Atomic Structure of Interface States in Silicon Heterojunction Solar Cells}, volume={110}, DOI={10.1103/physrevlett.110.136803}, number={13}, journal={Physical Review Letters}, author={George, B. M. and Behrends, J. and Schnegg, A. and Schulze, T. F. and Fehr, M. and Korte, L. and Rech, B. and Lips, K. and Rohrmüller, M. and Rauls, E. and et al.}, year={2013} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13819
@article{Riefer_Sanna_Schmidt_2013, title={LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations}, volume={447}, DOI={10.1080/00150193.2013.821904}, journal={Ferroelectrics}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero}, year={2013}, pages={78–85} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13517
@article{Jesser_Rohrmüller_Schmidt_Herres-Pawlis_2013, title={Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†}, volume={35}, DOI={10.1002/jcc.23449}, number={1–2}, journal={Journal of Computational Chemistry}, author={Jesser, Anton and Rohrmüller, Martin and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}, year={2013}, pages={1–17} }
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13524
@article{Landmann_Rauls_Schmidt_Röppischer_Cobet_Esser_Schupp_As_Feneberg_Goldhahn_2013, title={Transition energies and direct-indirect band gap crossing in zinc-blende AlxGa1−xN}, volume={87}, DOI={10.1103/physrevb.87.195210}, number={19}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Röppischer, Marcus and Cobet, Christoph and Esser, Norbert and Schupp, Thorsten and As, Donat J. and Feneberg, Martin and Goldhahn, Rüdiger}, year={2013} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13538
@article{Riefer_Sanna_Schmidt_2012, title={Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces}, volume={86}, DOI={10.1103/physrevb.86.125410}, number={12}, journal={Physical Review B}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero}, year={2012} }
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| DOI
2012 | Journal Article | LibreCat-ID: 13545
@article{Landmann_Rauls_Schmidt_2012, title={The electronic structure and optical response of rutile, anatase and brookite TiO2}, volume={24}, DOI={10.1088/0953-8984/24/19/195503}, number={195503}, journal={Journal of Physics: Condensed Matter}, author={Landmann, M and Rauls, E and Schmidt, Wolf Gero}, year={2012} }
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| DOI
2012 | Journal Article | LibreCat-ID: 13534
@article{Wall_Krenzer_Wippermann_Sanna_Klasing_Hanisch-Blicharski_Kammler_Schmidt_Horn-von Hoegen_2012, title={Atomistic Picture of Charge Density Wave Formation at Surfaces}, volume={109}, DOI={10.1103/physrevlett.109.186101}, number={18}, journal={Physical Review Letters}, author={Wall, Simone and Krenzer, Boris and Wippermann, Stefan and Sanna, Simone and Klasing, Friedrich and Hanisch-Blicharski, Anja and Kammler, Martin and Schmidt, Wolf Gero and Horn-von Hoegen, Michael}, year={2012} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13539
@article{Rode_Hölscher_Sanna_Klassen_Kobayashi_Yamada_Schmidt_Kühnle_2012, title={Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy}, volume={86}, DOI={10.1103/physrevb.86.075468}, number={7}, journal={Physical Review B}, author={Rode, S. and Hölscher, R. and Sanna, S. and Klassen, S. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero and Kühnle, A.}, year={2012} }
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| DOI
2012 | Journal Article | LibreCat-ID: 13541
@article{Landmann_Köhler_Köppen_Rauls_Frauenheim_Schmidt_2012, title={Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2}, volume={86}, DOI={10.1103/physrevb.86.064201}, number={6}, journal={Physical Review B}, author={Landmann, M. and Köhler, T. and Köppen, S. and Rauls, E. and Frauenheim, T. and Schmidt, Wolf Gero}, year={2012} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13546
@article{Riefer_Rauls_Schmidt_Eberhard_Stoll_Mattay_2012, title={2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response}, volume={85}, DOI={10.1103/physrevb.85.165202}, number={16}, journal={Physical Review B}, author={Riefer, A. and Rauls, E. and Schmidt, Wolf Gero and Eberhard, J. and Stoll, I. and Mattay, J.}, year={2012} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13560
@article{Hölscher_Sanna_Schmidt_2012, title={Adsorption of OH and H at the LiNbO3(0001) surface}, volume={9}, DOI={10.1002/pssc.201100534}, number={6}, journal={physica status solidi (c)}, author={Hölscher, R. and Sanna, S. and Schmidt, Wolf Gero}, year={2012}, pages={1361–1365} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13820
@article{Schmidt_Wippermann_Sanna_Babilon_Vollmers_Gerstmann_2012, title={In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition}, volume={249}, DOI={10.1002/pssb.201100457}, number={2}, journal={physica status solidi (b)}, author={Schmidt, Wolf Gero and Wippermann, S. and Sanna, S. and Babilon, M. and Vollmers, N. J. and Gerstmann, Uwe}, year={2012}, pages={343–359} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13535
@article{Sanna_Schmidt_2012, title={Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics}, volume={59}, DOI={10.1109/tuffc.2012.2408}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control}, author={Sanna, S. and Schmidt, Wolf Gero}, year={2012}, pages={1925–1928} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13542
@article{Thissen_Peixoto_Longo_Peng_Schmidt_Cho_Chabal_2012, title={Activation of Surface Hydroxyl Groups by Modification of H-Terminated Si(111) Surfaces}, volume={134}, DOI={10.1021/ja300270w}, journal={Journal of the American Chemical Society}, author={Thissen, Peter and Peixoto, Tatiana and Longo, Roberto C. and Peng, Weina and Schmidt, Wolf Gero and Cho, Kyeongjae and Chabal, Yves J.}, year={2012}, pages={8869–8874} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13821
@article{Zirkelbach_Stritzker_Nordlund_Schmidt_Rauls_Lindner_2012, title={First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon}, volume={9}, DOI={10.1002/pssc.201200198}, number={10–11}, journal={physica status solidi (c)}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Schmidt, Wolf Gero and Rauls, E. and Lindner, J. K. N.}, year={2012}, pages={1968–1973} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13531
@article{Schmidt_Breuer_Wippermann_Schmidt_Witte_2012, title={Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals}, volume={116}, DOI={10.1021/jp307316r}, journal={The Journal of Physical Chemistry C}, author={Schmidt, Christian and Breuer, Tobias and Wippermann, Stefan and Schmidt, Wolf Gero and Witte, Gregor}, year={2012}, pages={24098–24106} }
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| DOI
2012 | Journal Article | LibreCat-ID: 13536
@article{Riefer_Sanna_Gavrilenko_Schmidt_2012, title={Linear and nonlinear optical response of LiNbO3 calculated from first principles}, volume={59}, DOI={10.1109/tuffc.2012.2409}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control}, author={Riefer, Arthur and Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2012}, pages={1929–1933} }
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| DOI
2012 | Journal Article | LibreCat-ID: 13543
@article{Rauls_Schmidt_Pertram_Wandelt_2012, title={Interplay between metal-free phthalocyanine molecules and Au(110) substrates}, volume={606}, DOI={10.1016/j.susc.2012.03.010}, journal={Surface Science}, author={Rauls, E. and Schmidt, Wolf Gero and Pertram, T. and Wandelt, K.}, year={2012}, pages={1120–1125} }
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13548
@article{Thissen_Thissen_Wippermann_Chabal_Grundmeier_Schmidt_2012, title={pH-dependent structure and energetics of H2O/MgO(100)}, volume={606}, DOI={10.1016/j.susc.2012.01.018}, journal={Surface Science}, author={Thissen, Peter and Thissen, Vera and Wippermann, Stefan and Chabal, Yves J. and Grundmeier, Guido and Schmidt, Wolf Gero}, year={2012}, pages={902–907} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13570
@article{Müllegger_Rashidi_Lengauer_Rauls_Schmidt_Knör_Schöfberger_Koch_2011, title={Asymmetric saddling of single porphyrin molecules on Au(111)}, volume={83}, DOI={10.1103/physrevb.83.165416}, number={16}, journal={Physical Review B}, author={Müllegger, S. and Rashidi, M. and Lengauer, T. and Rauls, E. and Schmidt, Wolf Gero and Knör, G. and Schöfberger, W. and Koch, R.}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13563
@article{Schmidt_Babilon_Thierfelder_Sanna_Wippermann_2011, title={Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array}, volume={84}, DOI={10.1103/physrevb.84.115416}, number={11}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Babilon, M. and Thierfelder, C. and Sanna, S. and Wippermann, S.}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13568
@article{Mietze_Landmann_Rauls_Machhadani_Sakr_Tchernycheva_Julien_Schmidt_Lischka_As_2011, title={Band offsets in cubic GaN/AlN superlattices}, volume={83}, DOI={10.1103/physrevb.83.195301}, number={19}, journal={Physical Review B}, author={Mietze, C. and Landmann, M. and Rauls, E. and Machhadani, H. and Sakr, S. and Tchernycheva, M. and Julien, F. H. and Schmidt, Wolf Gero and Lischka, K. and As, Donat Josef}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13823
@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Vibrational properties of the LiNbO3 z-surfaces}, volume={58}, DOI={10.1109/tuffc.2011.2012}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control}, author={Sanna, S. and Berth, G. and Hahn, W. and Widhalm, A. and Zrenner, A. and Schmidt, Wolf Gero}, year={2011}, pages={1751–1756} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13564
@article{dos Santos_Schmidt_Rauls_2011, title={Group-VII point defects in ZnSe}, volume={84}, DOI={10.1103/physrevb.84.115201}, number={11}, journal={Physical Review B}, author={dos Santos, L. S. and Schmidt, Wolf Gero and Rauls, E.}, year={2011} }
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| DOI
2011 | Journal Article | LibreCat-ID: 13569
@article{Favero_Ferraz_Schmidt_Miotto_2011, title={Driving forces for the adsorption of cyclopentene on InP(001)}, volume={605}, DOI={10.1016/j.susc.2011.01.027}, journal={Surface Science}, author={Favero, P.P. and Ferraz, A.C. and Schmidt, Wolf Gero and Miotto, R.}, year={2011}, pages={824–830} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13571
@article{Thierfelder_Witte_Blankenburg_Rauls_Schmidt_2011, title={Methane adsorption on graphene from first principles including dispersion interaction}, volume={605}, DOI={10.1016/j.susc.2011.01.012}, journal={Surface Science}, author={Thierfelder, C. and Witte, M. and Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2011}, pages={746–749} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13824
@article{Zirkelbach_Stritzker_Nordlund_Lindner_Schmidt_Rauls_2011, title={Combined ab initio and classical potential simulation study on silicon carbide precipitation in silicon}, volume={84}, DOI={10.1103/physrevb.84.064126}, number={6}, journal={Physical Review B}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Lindner, J. K. N. and Schmidt, Wolf Gero and Rauls, E.}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13565
@article{Müllegger_Schöfberger_Rashidi_Lengauer_Klappenberger_Diller_Kara_Barth_Rauls_Schmidt_et al._2011, title={Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System}, volume={5}, DOI={10.1021/nn201708c}, number={8}, journal={ACS Nano}, author={Müllegger, Stefan and Schöfberger, Wolfgang and Rashidi, Mohammad and Lengauer, Thomas and Klappenberger, Florian and Diller, Katharina and Kara, Kamuran and Barth, Johannes V. and Rauls, Eva and Schmidt, Wolf Gero and et al.}, year={2011}, pages={6480–6486} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13825
@article{Sanna_Thierfelder_Wippermann_Sinha_Schmidt_2011, title={Barium titanate ground- and excited-state properties from first-principles calculations}, volume={83}, DOI={10.1103/physrevb.83.054112}, number={5}, journal={Physical Review B}, author={Sanna, S. and Thierfelder, C. and Wippermann, S. and Sinha, T. P. and Schmidt, Wolf Gero}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13561
@article{Berth_Hahn_Wiedemeier_Zrenner_Sanna_Schmidt_2011, title={Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy}, volume={420}, DOI={10.1080/00150193.2011.594774}, journal={Ferroelectrics}, author={Berth, Gerhard and Hahn, Wjatscheslaw and Wiedemeier, Volker and Zrenner, Artur and Sanna, Simone and Schmidt, Wolf Gero}, year={2011}, pages={44–48} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13566
@article{Hoehne_Lu_Stegner_Stutzmann_Brandt_Rohrmüller_Schmidt_Gerstmann_2011, title={Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures}, volume={106}, DOI={10.1103/physrevlett.106.196101}, number={19}, journal={Physical Review Letters}, author={Hoehne, Felix and Lu, Jinming and Stegner, Andre R. and Stutzmann, Martin and Brandt, Martin S. and Rohrmüller, Martin and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2011} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13567
@article{Konopka_Greulich-Weber_Dierolf_Jiang_Gerstmann_Rauls_Sanna_Schmidt_2011, title={Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors}, volume={33}, DOI={10.1016/j.optmat.2010.12.005}, journal={Optical Materials}, author={Konopka, A. and Greulich-Weber, S. and Dierolf, V. and Jiang, H.X. and Gerstmann, Uwe and Rauls, E. and Sanna, S. and Schmidt, Wolf Gero}, year={2011}, pages={1041–1044} }
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13822
@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Localised Phonon Modes at LiNbO3(0001) Surfaces}, volume={419}, DOI={10.1080/00150193.2011.594396}, journal={Ferroelectrics}, author={Sanna, S. and Berth, G. and Hahn, W. and Widhalm, A. and Zrenner, A. and Schmidt, Wolf Gero}, year={2011}, pages={1–8} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13828
@article{Zirkelbach_Stritzker_Nordlund_Lindner_Schmidt_Rauls_2010, title={Defects in carbon implanted silicon calculated by classical potentials and first-principles methods}, volume={82}, DOI={10.1103/physrevb.82.094110}, number={9}, journal={Physical Review B}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Lindner, J. K. N. and Schmidt, Wolf Gero and Rauls, E.}, year={2010} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13830
@article{Rauls_Wiebe_Schmidt_2010, title={Understanding the cubic AlN growth plane from first principles}, volume={312}, DOI={10.1016/j.jcrysgro.2010.07.027}, journal={Journal of Crystal Growth}, author={Rauls, E. and Wiebe, J. and Schmidt, Wolf Gero}, year={2010}, pages={2892–2895} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13835
@article{Scholle_Greulich-Weber_As_Mietze_Son_Hemmingsson_Monemar_Janzén_Gerstmann_Sanna_et al._2010, title={Magnetic characterization of conductance electrons in GaN}, volume={247}, DOI={10.1002/pssb.200983582}, number={7}, journal={physica status solidi (b)}, author={Scholle, A. and Greulich-Weber, S. and As, Donat Josef and Mietze, Ch. and Son, N. T. and Hemmingsson, C. and Monemar, B. and Janzén, E. and Gerstmann, Uwe and Sanna, S. and et al.}, year={2010}, pages={1728–1731} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13842
@article{Sanna_Gavrilenko_Schmidt_2010, title={Ab initio investigation of the LiNbO3(0001) surface}, volume={7}, DOI={10.1002/pssc.200982456}, number={2}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2010}, pages={145–148} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13829
@article{Krivosheeva_Sanna_Schmidt_2010, title={First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2)}, volume={49}, DOI={10.1016/j.commatsci.2010.06.043}, number={4}, journal={Computational Materials Science}, author={Krivosheeva, A.V. and Sanna, S. and Schmidt, Wolf Gero}, year={2010}, pages={895–898} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13831
@article{Speiser_Chandola_Hinrichs_Gensch_Cobet_Wippermann_Schmidt_Bechstedt_Richter_Fleischer_et al._2010, title={Metal-insulator transition in Si(111)-(4 × 1)/(8 × 2)-In studied by optical spectroscopy}, volume={247}, DOI={10.1002/pssb.200983961}, number={8}, journal={physica status solidi (b)}, author={Speiser, E. and Chandola, S. and Hinrichs, K. and Gensch, M. and Cobet, C. and Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Richter, W. and Fleischer, K. and et al.}, year={2010}, pages={2033–2039} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13836
@article{Rauls_Blankenburg_Schmidt_2010, title={Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111)}, volume={81}, DOI={10.1103/physrevb.81.125401}, number={12}, journal={Physical Review B}, author={Rauls, E. and Blankenburg, S. and Schmidt, Wolf Gero}, year={2010} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13843
@article{Wippermann_Schmidt_Thissen_Grundmeier_2010, title={Dissociative and molecular adsorption of water onα-Al2O3(0001)}, volume={7}, DOI={10.1002/pssc.200982423}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Thissen, P. and Grundmeier, G.}, year={2010}, pages={137–140} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13832
@article{Thierfelder_Schmidt_2010, title={First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111)}, volume={82}, DOI={10.1103/physrevb.82.115402}, number={11}, journal={Physical Review B}, author={Thierfelder, C. and Schmidt, Wolf Gero}, year={2010} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13837
@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2010, title={Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC}, volume={645–648}, DOI={10.4028/www.scientific.net/msf.645-648.403}, journal={Materials Science Forum}, author={Scholle, Andreas and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2010}, pages={403–406} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13826
@article{Blankenburg_Rauls_Schmidt_2010, title={Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization}, volume={1}, DOI={10.1021/jz101389u}, journal={The Journal of Physical Chemistry Letters}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2010}, pages={3266–3270} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13833
@article{Sanna_Schmidt_2010, title={Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory}, volume={81}, DOI={10.1103/physrevb.81.214116}, number={21}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13838
@article{Sanna_Schmidt_2010, title={GaN growth on LiNbO3 (0001) - a first-principles simulation}, volume={7}, DOI={10.1002/pssc.200983649}, number={7–8}, journal={physica status solidi (c)}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010}, pages={2272–2274} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13573
@article{Thierfelder_Sanna_Schindlmayr_Schmidt_2010, title={Do we know the band gap of lithium niobate?}, volume={7}, DOI={10.1002/pssc.200982473}, number={2}, journal={Physica Status Solidi C}, publisher={Wiley-VCH}, author={Thierfelder, Christian and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2010}, pages={362–365} }
LibreCat
| Files available
| DOI
| WoS
2010 | Journal Article | LibreCat-ID: 13827
@article{Wippermann_Schmidt_2010, title={Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array}, volume={105}, DOI={10.1103/physrevlett.105.126102}, number={12}, journal={Physical Review Letters}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2010} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13834
@article{Sanna_Schmidt_2010, title={GaN/LiNbO3 (0001) interface formation calculated from first-principles}, volume={256}, DOI={10.1016/j.apsusc.2010.03.098}, journal={Applied Surface Science}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010}, pages={5740–5743} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13839
@article{Blankenburg_Schmidt_2010, title={Temperature dependent stability of self-assembled molecular rows}, volume={7}, DOI={10.1002/pssc.200982460}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2010}, pages={415–417} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13841
@article{Blankenburg_Rauls_Schmidt_2010, title={The physics of highly ordered molecular rows}, volume={7}, DOI={10.1002/pssc.200982459}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2010}, pages={153–156} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13574
@article{Gerstmann_Rohrmüller_Mauri_Schmidt_2010, title={Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces}, volume={7}, DOI={10.1002/pssc.200982462}, number={2}, journal={physica status solidi (c)}, author={Gerstmann, Uwe and Rohrmüller, M. and Mauri, F. and Schmidt, Wolf Gero}, year={2010}, pages={157–160} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13581
@article{Wippermann_Schmidt_Bechstedt_Chandola_Hinrichs_Gensch_Esser_Fleischer_McGilp_2010, title={Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles}, volume={7}, DOI={10.1002/pssc.200982413}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Fleischer, K. and McGilp, J. F.}, year={2010}, pages={133–136} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13656
@article{Bihler_Gerstmann_Hoeb_Graf_Gjukic_Schmidt_Stutzmann_Brandt_2010, title={Manganese-hydrogen complexes inGa1−xMnxN}, volume={80}, DOI={10.1103/physrevb.80.205205}, number={20}, journal={Physical Review B}, author={Bihler, C. and Gerstmann, Uwe and Hoeb, M. and Graf, T. and Gjukic, M. and Schmidt, Wolf Gero and Stutzmann, M. and Brandt, M. S.}, year={2010} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13657
@article{Sanna_Schmidt_Frauenheim_Gerstmann_2009, title={Rare-earth defect pairs in GaN: LDA+U calculations}, volume={80}, DOI={10.1103/physrevb.80.104120}, number={10}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf Gero and Frauenheim, Th. and Gerstmann, Uwe}, year={2009} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13664
@article{Lange_Posner_Pohl_Thierfelder_Grundmeier_Blankenburg_Schmidt_2009, title={Water adsorption on hydrogenated Si(111) surfaces}, volume={603}, DOI={10.1016/j.susc.2008.10.030}, journal={Surface Science}, author={Lange, B. and Posner, R. and Pohl, K. and Thierfelder, C. and Grundmeier, Guido and Blankenburg, S. and Schmidt, Wolf Gero}, year={2009}, pages={60–64} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13583
@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Vacancy clusters created via room temperature irradiation in 6H-SiC}, volume={404}, DOI={10.1016/j.physb.2009.08.123}, journal={Physica B: Condensed Matter}, author={Scholle, A. and Greulich-Weber, S. and Rauls, E. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={4742–4744} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13658
@article{Passmann_Favero_Schmidt_Miotto_Braun_Richter_Kneissl_Esser_Vogt_2009, title={Adsorption structure of cyclopentene on InP(001)(2×4)}, volume={80}, DOI={10.1103/physrevb.80.125303}, number={12}, journal={Physical Review B}, author={Passmann, Regina and Favero, Priscila and Schmidt, Wolf Gero and Miotto, Ronei and Braun, Walter and Richter, Wolfgang and Kneissl, Michael and Esser, Norbert and Vogt, Patrick}, year={2009} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13660
@article{Chandola_Hinrichs_Gensch_Esser_Wippermann_Schmidt_Bechstedt_Fleischer_McGilp_2009, title={Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response}, volume={102}, DOI={10.1103/physrevlett.102.226805}, number={22}, journal={Physical Review Letters}, author={Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Fleischer, K. and McGilp, J. F.}, year={2009} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13665
@article{Landmann_Rauls_Schmidt_2009, title={First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen}, volume={79}, DOI={10.1103/physrevb.79.045412}, number={4}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2009} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13576
@article{Blankenburg_Rauls_Schmidt_2009, title={The physics of highly ordered molecular rows}, DOI={10.1002/pssc.200982459}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={153–156} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13844
@article{Savchenko_Pöppl_Kalabukhova_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC}, volume={615–617}, DOI={10.4028/www.scientific.net/msf.615-617.343}, journal={Materials Science Forum}, author={Savchenko, D.V. and Pöppl, Andreas and Kalabukhova, Ekaterina N. and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={343–346} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13577
@article{Blankenburg_Rauls_Schmidt_2009, title={The physics of highly ordered molecular rows}, volume={7}, DOI={10.1002/pssc.200982459}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={153–156} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13659
@article{Blankenburg_Rauls_Schmidt_2009, title={Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures}, volume={113}, DOI={10.1021/jp902337p}, journal={The Journal of Physical Chemistry C}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={12653–12657} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13661
@article{Landmann_Rauls_Schmidt_2009, title={Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles}, volume={113}, DOI={10.1021/jp810581s}, journal={The Journal of Physical Chemistry C}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={5690–5699} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13580
@article{Wippermann_Schmidt_Thissen_Grundmeier_2009, title={Dissociative and molecular adsorption of water onα-Al2O3(0001)}, volume={7}, DOI={10.1002/pssc.200982423}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Thissen, P. and Grundmeier, Guido}, year={2009}, pages={137–140} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13655
@article{Thissen_Grundmeier_Wippermann_Schmidt_2009, title={Water adsorption on the α-Al2O3(0001) surface}, volume={80}, DOI={10.1103/physrevb.80.245403}, number={24}, journal={Physical Review B}, author={Thissen, P. and Grundmeier, G. and Wippermann, S. and Schmidt, Wolf Gero}, year={2009} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13662
@article{Blankenburg_Schmidt_2009, title={Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions}, volume={21}, DOI={10.1088/0953-8984/21/18/185001}, number={185001}, journal={Journal of Physics: Condensed Matter}, author={Blankenburg, S and Schmidt, Wolf Gero}, year={2009} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13578
@article{Sanna_Gavrilenko_Schmidt_2009, title={Ab initioinvestigation of the LiNbO3(0001) surface}, DOI={10.1002/pssc.200982456}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2009}, pages={145–148} }
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13579
@article{Sanna_Gavrilenko_Schmidt_2009, title={Ab initioinvestigation of the LiNbO3(0001) surface}, volume={7}, DOI={10.1002/pssc.200982456}, number={2}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2009}, pages={145–148} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13669
@article{Rauls_Dijkstra_Schmidt_2008, title={Atomic structure and energetics of thec-GaN(001) surface}, volume={78}, DOI={10.1103/physrevb.78.113302}, number={11}, journal={Physical Review B}, author={Rauls, E. and Dijkstra, S. J. and Schmidt, Wolf Gero}, year={2008} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13671
@article{Hermann_Schmidt_Schwerdtfeger_2008, title={Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects}, volume={100}, DOI={10.1103/physrevlett.100.207403}, number={20}, journal={Physical Review Letters}, author={Hermann, A. and Schmidt, Wolf Gero and Schwerdtfeger, P.}, year={2008} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13676
@article{Schmidt_Albrecht_Wippermann_Blankenburg_Rauls_Fuchs_Rödl_Furthmüller_Hermann_2008, title={LiNbO3ground- and excited-state properties from first-principles calculations}, volume={77}, DOI={10.1103/physrevb.77.035106}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Albrecht, M. and Wippermann, S. and Blankenburg, S. and Rauls, E. and Fuchs, F. and Rödl, C. and Furthmüller, J. and Hermann, A.}, year={2008} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13672
@article{Hermann_Schwerdtfeger_Schmidt_2008, title={Theoretical study of the localization of excess electrons at the surface of ice}, volume={20}, DOI={10.1088/0953-8984/20/22/225003}, number={225003}, journal={Journal of Physics: Condensed Matter}, author={Hermann, A and Schwerdtfeger, P and Schmidt, Wolf Gero}, year={2008} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13666
@article{Wippermann_Schmidt_2008, title={Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles}, volume={78}, DOI={10.1103/physrevb.78.235439}, number={23}, journal={Physical Review B}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2008} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13673
@article{Rakel_Cobet_Esser_Fuchs_Bechstedt_Goldhahn_Schmidt_Schaff_2008, title={GaN and InN conduction-band states studied by ellipsometry}, volume={77}, DOI={10.1103/physrevb.77.115120}, number={11}, journal={Physical Review B}, author={Rakel, Munise and Cobet, Christoph and Esser, Norbert and Fuchs, Frank and Bechstedt, Friedhelm and Goldhahn, Rüdiger and Schmidt, Wolf Gero and Schaff, William}, year={2008} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13674
@article{Wippermann_Koch_Schmidt_2008, title={Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects}, volume={100}, DOI={10.1103/physrevlett.100.106802}, number={10}, journal={Physical Review Letters}, author={Wippermann, S. and Koch, N. and Schmidt, Wolf Gero}, year={2008} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13663
@article{Wippermann_Schmidt_2008, title={Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array}, volume={603}, DOI={10.1016/j.susc.2008.11.013}, journal={Surface Science}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2008}, pages={247–250} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13668
@article{Rauls_Schmidt_2008, title={Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110)}, volume={112}, DOI={10.1021/jp8037297}, journal={Journal of Physical Chemistry C}, author={Rauls, E. and Schmidt, Wolf Gero}, year={2008}, pages={11490–11494} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13670
@article{Rauls_Blankenburg_Schmidt_2008, title={DFT calculations of adenine adsorption on coin metal (110) surfaces}, volume={602}, DOI={10.1016/j.susc.2008.04.029}, journal={Surface Science}, author={Rauls, E. and Blankenburg, S. and Schmidt, Wolf Gero}, year={2008}, pages={2170–2174} }
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13675
@article{Lange_Schmidt_2008, title={Ammonia adsorption on Cl/Si(001): First-principles calculations}, volume={602}, DOI={10.1016/j.susc.2008.01.024}, journal={Surface Science}, author={Lange, B. and Schmidt, Wolf Gero}, year={2008}, pages={1207–1211} }
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13683
@article{Stekolnikov_Seino_Bechstedt_Wippermann_Schmidt_Calzolari_Nardelli_2007, title={Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance}, volume={98}, DOI={10.1103/physrevlett.98.026105}, number={2}, journal={Physical Review Letters}, author={Stekolnikov, A. A. and Seino, K. and Bechstedt, F. and Wippermann, S. and Schmidt, Wolf Gero and Calzolari, A. and Nardelli, M. Buongiorno}, year={2007} }
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13677
@article{Thierfelder_Schmidt_2007, title={Ethanol adsorbed on ice: A first-principles study}, volume={76}, DOI={10.1103/physrevb.76.195426}, number={19}, journal={Physical Review B}, author={Thierfelder, C. and Schmidt, Wolf Gero}, year={2007} }
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13678
@article{Blankenburg_Schmidt_2007, title={Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer}, volume={99}, DOI={10.1103/physrevlett.99.196107}, number={19}, journal={Physical Review Letters}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2007} }
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13680
@article{Blankenburg_Schmidt_2007, title={Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)}, volume={18}, DOI={10.1088/0957-4484/18/42/424030}, number={424030}, journal={Nanotechnology}, author={Blankenburg, S and Schmidt, Wolf Gero}, year={2007} }
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13681
@article{Wippermann_Schmidt_Calzolari_Nardelli_Stekolnikov_Seino_Bechstedt_2007, title={Quantum conductance of In nanowires on Si(111) from first principles calculations}, DOI={10.1016/j.susc.2007.04.053}, journal={Surface Science}, author={Wippermann, S. and Schmidt, Wolf Gero and Calzolari, A. and Nardelli, M. Buongiorno and Stekolnikov, A.A. and Seino, K. and Bechstedt, F.}, year={2007}, pages={4045–4047} }
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13682
@article{Bernholc_Lu_Nakhmanson_Hahn_Meunier_Buongiorno Nardelli_Schmidt_2007, title={Atomic scale design of nanostructures}, DOI={10.1080/00268970701189186}, journal={Molecular Physics}, author={Bernholc, J. and Lu, W. and Nakhmanson, S. M. and Hahn, P.H. and Meunier, V. and Buongiorno Nardelli, M. and Schmidt, Wolf Gero}, year={2007}, pages={147–156} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13688
@article{Blankenburg_Schmidt_2006, title={Adsorption of phenylglycine on copper: Density functional calculations}, volume={74}, DOI={10.1103/physrevb.74.155419}, number={15}, journal={Physical Review B}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13690
@article{Thierfelder_Hermann_Schwerdtfeger_Schmidt_2006, title={Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations}, volume={74}, DOI={10.1103/physrevb.74.045422}, number={4}, journal={Physical Review B}, author={Thierfelder, C. and Hermann, A. and Schwerdtfeger, P. and Schmidt, Wolf Gero}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13695
@article{Hahn_Schmidt_Bechstedt_2006, title={Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics}, volume={72}, DOI={10.1103/physrevb.72.245425}, number={24}, journal={Physical Review B}, author={Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13684
@article{Letzig_Willig_Hahn_Schmidt_2006, title={Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface}, volume={74}, DOI={10.1103/physrevb.74.245307}, number={24}, journal={Physical Review B}, author={Letzig, T. and Willig, F. and Hahn, P. H. and Schmidt, Wolf Gero}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13689
@article{Preuss_Miotto_Bechstedt_Rada_Richardson_Schmidt_2006, title={Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS}, volume={74}, DOI={10.1103/physrevb.74.115402}, number={11}, journal={Physical Review B}, author={Preuss, M. and Miotto, R. and Bechstedt, F. and Rada, T. and Richardson, N. V. and Schmidt, Wolf Gero}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13691
@article{Biering_Hermann_Schmidt_2006, title={Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions}, volume={73}, DOI={10.1103/physrevb.73.235429}, number={23}, journal={Physical Review B}, author={Biering, S. and Hermann, A. and Schmidt, Wolf Gero}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13685
@article{Preuss_Bechstedt_Schmidt_Sochos_Schröter_Richter_2006, title={Clean and pyrrole-functionalized Si- and C-terminated SiC surfaces: First-principles calculations of geometry and energetics compared with LEED and XPS}, volume={74}, DOI={10.1103/physrevb.74.235406}, number={23}, journal={Physical Review B}, author={Preuss, M. and Bechstedt, F. and Schmidt, Wolf Gero and Sochos, J. and Schröter, B. and Richter, W.}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13692
@article{Schmidt_Hermann_Fuchs_Bechstedt_2006, title={Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation}, volume={6}, DOI={10.1016/j.cap.2005.11.069}, journal={Current Applied Physics}, author={Schmidt, Wolf Gero and Hermann, A. and Fuchs, F. and Bechstedt, F.}, year={2006}, pages={525–530} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13845
@article{Ortmann_Bechstedt_Schmidt_2006, title={Semiempirical van der Waals correction to the density functional description of solids and molecular structures}, volume={73}, DOI={10.1103/physrevb.73.205101}, number={20}, journal={Physical Review B}, author={Ortmann, F. and Bechstedt, F. and Schmidt, Wolf Gero}, year={2006} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13686
@article{Schmidt_Seino_Preuss_Hermann_Ortmann_Bechstedt_2006, title={Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction}, volume={85}, DOI={10.1007/s00339-006-3691-0}, journal={Applied Physics A}, author={Schmidt, Wolf Gero and Seino, K. and Preuss, M. and Hermann, A. and Ortmann, F. and Bechstedt, F.}, year={2006}, pages={387–397} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13693
@article{Schmidt_Seino_2006, title={Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping}, volume={6}, DOI={10.1016/j.cap.2005.11.012}, journal={Current Applied Physics}, author={Schmidt, Wolf Gero and Seino, K.}, year={2006}, pages={331–333} }
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13694
@article{Seino_Schmidt_Ohtake_2006, title={Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions}, volume={73}, DOI={10.1103/physrevb.73.035317}, number={3}, journal={Physical Review B}, author={Seino, K. and Schmidt, Wolf Gero and Ohtake, A.}, year={2006} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13703
@article{Preuss_Schmidt_Bechstedt_2005, title={Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110)}, volume={94}, DOI={10.1103/physrevlett.94.236102}, journal={Physical Review Letters}, author={Preuss, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13708
@article{Töben_Gundlach_Ernstorfer_Eichberger_Hannappel_Willig_Zeiser_Förstner_Knorr_Hahn_et al._2005, title={Femtosecond Transfer Dynamics of Photogenerated Electrons at a Surface Resonance of Reconstructed InP(100)}, volume={94}, DOI={10.1103/physrevlett.94.067601}, journal={Physical Review Letters}, author={Töben, L. and Gundlach, L. and Ernstorfer, R. and Eichberger, R. and Hannappel, T. and Willig, F. and Zeiser, A. and Förstner, Jens and Knorr, A. and Hahn, P. H. and et al.}, year={2005}, pages={067601} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13696
@article{Bechstedt_Seino_Hahn_Schmidt_2005, title={Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl}, volume={72}, DOI={10.1103/physrevb.72.245114}, number={24}, journal={Physical Review B}, author={Bechstedt, F. and Seino, K. and Hahn, P. H. and Schmidt, Wolf Gero}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13704
@article{Seino_Schmidt_2005, title={Conformation-selective adsorption of 2,3-butanediol on Si(001)}, DOI={10.1016/j.susc.2005.04.029}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero}, year={2005}, pages={191–196} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13709
@article{Hahn_Schmidt_Seino_Preuss_Bechstedt_Bernholc_2005, title={Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding}, volume={94}, DOI={10.1103/physrevlett.94.037404}, journal={Physical Review Letters}, author={Hahn, P. H. and Schmidt, Wolf Gero and Seino, K. and Preuss, M. and Bechstedt, F. and Bernholc, J.}, year={2005}, pages={037404} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13697
@article{Ortmann_Schmidt_Bechstedt_2005, title={Attracted by Long-Range Electron Correlation: Adenine on Graphite}, volume={95}, DOI={10.1103/physrevlett.95.186101}, number={18}, journal={Physical Review Letters}, author={Ortmann, F. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13700
@article{Esser_Rakel_Cobet_Schmidt_Braun_Cardona_2005, title={VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations}, volume={242}, DOI={10.1002/pssb.200541315}, number={13}, journal={physica status solidi (b)}, author={Esser, N. and Rakel, M. and Cobet, C. and Schmidt, Wolf Gero and Braun, W. and Cardona, M.}, year={2005}, pages={2601–2609} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13705
@article{Leitsmann_Schmidt_Hahn_Bechstedt_2005, title={Second-harmonic polarizability including electron-hole attraction from band-structure theory}, volume={71}, DOI={10.1103/physrevb.71.195209}, journal={Physical Review B}, author={Leitsmann, R. and Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13698
@article{Schmidt_2005, title={Calculation of reflectance anisotropy for semiconductor surface exploration}, volume={242}, DOI={10.1002/pssb.200541112}, number={13}, journal={physica status solidi (b)}, author={Schmidt, Wolf Gero}, year={2005}, pages={2751–2764} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13701
@article{Fuchs_Schmidt_Bechstedt_2005, title={Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations}, volume={109}, DOI={10.1021/jp0501087}, journal={The Journal of Physical Chemistry B}, author={Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005}, pages={17649–17653} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13706
@article{Hermann_Schmidt_Bechstedt_2005, title={Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study}, volume={71}, DOI={10.1103/physrevb.71.153311}, journal={Physical Review B}, author={Hermann, A. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13846
@article{Hahn_Schmidt_Bechstedt_2005, title={Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics}, volume={72}, DOI={10.1103/physrevb.72.245425}, number={24}, journal={Physical Review B}, author={Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13699
@article{Hahn_Seino_Schmidt_Furthmüller_Bechstedt_2005, title={Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN}, volume={242}, DOI={10.1002/pssb.200541128}, number={13}, journal={physica status solidi (b)}, author={Hahn, P. H. and Seino, K. and Schmidt, Wolf Gero and Furthmüller, J. and Bechstedt, F.}, year={2005}, pages={2720–2728} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13702
@article{Fuchs_Schmidt_Bechstedt_2005, title={Understanding the optical anisotropy of oxidized Si(001) surfaces}, volume={72}, DOI={10.1103/physrevb.72.075353}, number={7}, journal={Physical Review B}, author={Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13707
@article{Hermann_Schmidt_Bechstedt_2005, title={Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response}, volume={109}, DOI={10.1021/jp0500182}, journal={The Journal of Physical Chemistry B}, author={Hermann, Andreas and Schmidt, Wolf Gero and Bechstedt, Friedhelm}, year={2005}, pages={7928–7933} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13710
@article{Ohtake_Kocán_Seino_Schmidt_Koguchi_2004, title={Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase}, volume={93}, DOI={10.1103/physrevlett.93.266101}, journal={Physical Review Letters}, author={Ohtake, Akihiro and Kocán, Pavel and Seino, Kaori and Schmidt, Wolf Gero and Koguchi, Nobuyuki}, year={2004}, pages={266101} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13715
@article{Preuss_Schmidt_Seino_Bechstedt_2004, title={Methylchloride adsorbed on Si(001): an ab initio study}, volume={234}, DOI={10.1016/j.apsusc.2004.05.041}, journal={Applied Surface Science}, author={Preuss, M and Schmidt, Wolf Gero and Seino, K and Bechstedt, F}, year={2004}, pages={155–161} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13722
@article{Preuss_Schmidt_Seino_Furthmüller_Bechstedt_2004, title={Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials}, volume={25}, DOI={10.1002/jcc.10372}, number={1}, journal={Journal of Computational Chemistry}, author={Preuss, M. and Schmidt, Wolf Gero and Seino, K. and Furthmüller, J. and Bechstedt, F.}, year={2004}, pages={112–122} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13711
@article{Seino_Schmidt_2004, title={H2O on Si(001): surface optical anisotropy from first-principles calculations}, volume={571}, DOI={10.1016/j.susc.2004.08.012}, number={157}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero}, year={2004}, pages={157–160} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13716
@article{Fleischer_Chandola_Esser_Richter_McGilp_Schmidt_Wang_Lu_Bernholc_2004, title={Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy}, volume={234}, DOI={10.1016/j.apsusc.2004.05.114}, journal={Applied Surface Science}, author={Fleischer, K and Chandola, S and Esser, N and Richter, W and McGilp, J.F and Schmidt, Wolf Gero and Wang, S and Lu, W and Bernholc, J}, year={2004}, pages={302–306} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13712
@article{Schmidt_Fuchs_Hermann_Seino_Bechstedt_Paßmann_Wahl_Gensch_Hinrichs_Esser_et al._2004, title={Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions}, volume={16}, DOI={10.1088/0953-8984/16/39/007}, journal={Journal of Physics: Condensed Matter}, author={Schmidt, Wolf Gero and Fuchs, F and Hermann, A and Seino, K and Bechstedt, F and Paßmann, R and Wahl, M and Gensch, M and Hinrichs, K and Esser, N and et al.}, year={2004}, pages={S4323–S4334} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13717
@article{Seino_Schmidt_Bechstedt_2004, title={Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection}, volume={93}, DOI={10.1103/physrevlett.93.036101}, number={3}, journal={Physical Review Letters}, author={Seino, K. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2004} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13713
@article{Palummo_Pulci_Sole_Marini_Hahn_Schmidt_Bechstedt_2004, title={The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra}, volume={16}, DOI={10.1088/0953-8984/16/39/006}, journal={Journal of Physics: Condensed Matter}, author={Palummo, M and Pulci, O and Sole, R Del and Marini, A and Hahn, P and Schmidt, Wolf Gero and Bechstedt, F}, year={2004}, pages={S4313–S4322} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13718
@article{Preuss_Schmidt_Bechstedt_2004, title={Methyl Chloride Adsorption on Si(001)−Electronic Structure}, volume={108}, DOI={10.1021/jp049661z}, journal={The Journal of Physical Chemistry B}, author={Preuss, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2004}, pages={7809–7813} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13720
@article{Schmidt_Seino_Hahn_Bechstedt_Lu_Wang_Bernholc_2004, title={Calculation of surface optical properties: from qualitative understanding to quantitative predictions}, volume={455–456}, DOI={10.1016/j.tsf.2003.11.263}, journal={Thin Solid Films}, author={Schmidt, Wolf Gero and Seino, K. and Hahn, P.H. and Bechstedt, F. and Lu, W. and Wang, S. and Bernholc, J.}, year={2004}, pages={764–771} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13714
@article{Zeiser_Bücking_Götte_Förstner_Hahn_Schmidt_Knorr_2004, title={Dynamics of the phonon-induced electron transfer between semiconductor bulk and surface states}, volume={241}, DOI={10.1002/pssb.200409060}, number={12}, journal={physica status solidi (b)}, author={Zeiser, Andreas and Bücking, Norbert and Götte, Jörg and Förstner, Jens and Hahn, Patrick and Schmidt, Wolf Gero and Knorr, Andreas}, year={2004}, pages={R60–R62} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13719
@article{Seino_Schmidt_Bechstedt_2004, title={Organic modification of surface electronic properties: A first-principles study of uracil on Si(001)}, volume={69}, DOI={10.1103/physrevb.69.245309}, journal={Physical Review B}, author={Seino, K. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2004}, pages={245309} }
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13721
@article{Seino_Schmidt_2004, title={Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions}, volume={548}, DOI={10.1016/j.susc.2003.11.002}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero}, year={2004}, pages={183–186} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13727
@article{Wang_Lu_Schmidt_Bernholc_2003, title={Nanowire-induced optical anisotropy of the Si(111)-In surface}, volume={68}, DOI={10.1103/physrevb.68.035329}, journal={Physical Review B}, author={Wang, Shuchun and Lu, Wenchang and Schmidt, Wolf Gero and Bernholc, J.}, year={2003}, pages={035329} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13734
@article{Schmidt_Glutsch_Hahn_Bechstedt_2003, title={EfficientO(N2)method to solve the Bethe-Salpeter equation}, volume={67}, DOI={10.1103/physrevb.67.085307}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Glutsch, S. and Hahn, P. H. and Bechstedt, F.}, year={2003}, pages={085307} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13723
@article{Bechstedt_Del Sole_Glutsch_Hahn_Pulci_Schmidt_2003, title={Many-body and overlayer effects on surface optical properties}, volume={240}, DOI={10.1002/pssb.200303827}, number={3}, journal={physica status solidi (b)}, author={Bechstedt, F. and Del Sole, R. and Glutsch, S. and Hahn, P. H. and Pulci, O. and Schmidt, Wolf Gero}, year={2003}, pages={469–479} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13728
@article{Hahn_Schmidt_Bechstedt_Pulci_Del Sole_2003, title={P-richGaP(001)(2×1)/(2×2)surface: A hydrogen-adsorbate structure determined from first-principles calculations}, volume={68}, DOI={10.1103/physrevb.68.033311}, journal={Physical Review B}, author={Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F. and Pulci, O. and Del Sole, R.}, year={2003}, pages={033311} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13730
@article{Hahn_Schmidt_2003, title={Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation}, volume={10}, DOI={10.1142/s0218625x03004913}, number={2–3}, journal={Surface Review and Letters}, author={Hahn, P. H. and Schmidt, Wolf Gero}, year={2003}, pages={163–167} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13735
@article{Seino_Schmidt_Furthmüller_Bechstedt_2003, title={Chemisorption of pyrrole and polypyrrole on Si(001)}, volume={66}, DOI={10.1103/physrevb.66.235323}, journal={Physical Review B}, author={Seino, K. and Schmidt, Wolf Gero and Furthmüller, J. and Bechstedt, F.}, year={2003}, pages={235323} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13724
@article{Pristovsek_Tsukamoto_Ohtake_Koguchi_Orr_Schmidt_Bernholc_2003, title={Gallium-rich reconstructions on GaAs(001)}, volume={240}, DOI={10.1002/pssb.200301885}, number={1}, journal={physica status solidi (b)}, author={Pristovsek, M. and Tsukamoto, S. and Ohtake, A. and Koguchi, N. and Orr, B. G. and Schmidt, Wolf Gero and Bernholc, J.}, year={2003}, pages={91–98} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13729
@article{Schmidt_Seino_2003, title={Pyrrole (C4H4NH) and Polypyrrole Functionalized Silicon Surfaces Calculated from First Principles}, volume={10}, DOI={10.1142/s0218625x03004901}, number={2–3}, journal={Surface Review and Letters}, author={Schmidt, Wolf Gero and Seino, K.}, year={2003}, pages={221–226} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13731
@article{Seino_Schmidt_Furthmüller_Bechstedt_2003, title={Chemisorption of pyrrole (C4H4NH) on Si(001) calculated from first-principles}, volume={532–535}, DOI={10.1016/s0039-6028(03)00159-6}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero and Furthmüller, J. and Bechstedt, F.}, year={2003}, pages={988–992} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13725
@article{Lu_Schmidt_Bernholc_2003, title={Cycloaddition reaction versus dimer cleavage at theSi(001):C5H8interface}, volume={68}, DOI={10.1103/physrevb.68.115327}, journal={Physical Review B}, author={Lu, Wenchang and Schmidt, Wolf Gero and Bernholc, J.}, year={2003}, pages={115327} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13732
@article{Seino_Schmidt_Preuss_Bechstedt_2003, title={Uracil Adsorbed on Si(001): Structure and Energetics}, volume={107}, DOI={10.1021/jp0342531}, journal={The Journal of Physical Chemistry B}, author={Seino, K. and Schmidt, Wolf Gero and Preuss, M. and Bechstedt, F.}, year={2003}, pages={5031–5035} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13726
@article{Castillo_Mendoza_Schmidt_Hahn_Bechstedt_2003, title={Layer-by-layer analysis of surface reflectance anisotropy in semiconductors}, volume={68}, DOI={10.1103/physrevb.68.041310}, journal={Physical Review B}, author={Castillo, C. and Mendoza, Bernardo S. and Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F.}, year={2003}, pages={041310(R)} }
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13733
@article{Schmidt_Hahn_Bechstedt_Esser_Vogt_Wange_Richter_2003, title={InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure}, volume={90}, DOI={10.1103/physrevlett.90.126101}, number={12}, journal={Physical Review Letters}, author={Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F. and Esser, N. and Vogt, P. and Wange, A. and Richter, W.}, year={2003}, pages={126101} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13739
@article{Schmidt_2002, title={III-V compound semiconductor (001) surfaces}, volume={75}, DOI={10.1007/s003390101058}, journal={Applied Physics A: Materials Science & Processing}, author={Schmidt, Wolf Gero}, year={2002}, pages={89–99} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13741
@article{Schmidt_Bechstedt_Fleischer_Cobet_Esser_Richter_Bernholc_Onida_2002, title={GaAs(001): Surface Structure and Optical Properties}, volume={188}, DOI={10.1002/1521-396x(200112)188:4<1401::aid-pssa1401>3.0.co;2-1}, number={4}, journal={physica status solidi (a)}, author={Schmidt, Wolf Gero and Bechstedt, F. and Fleischer, K. and Cobet, C. and Esser, N. and Richter, W. and Bernholc, J. and Onida, G.}, year={2002}, pages={1401–1409} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13742
@article{Bechstedt_Schmidt_Hahn_2002, title={Towards a Complete Many-Body Description: Optical Response of Real Surfaces}, volume={188}, DOI={10.1002/1521-396x(200112)188:4<1383::aid-pssa1383>3.0.co;2-g}, number={4}, journal={physica status solidi (a)}, author={Bechstedt, F. and Schmidt, Wolf Gero and Hahn, P.H.}, year={2002}, pages={1383–1392} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13754
@article{Schmidt_Bechstedt_Bernholc_2002, title={Terrace and step contributions to the optical anisotropy of Si(001) surfaces}, volume={63}, DOI={10.1103/physrevb.63.045322}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J.}, year={2002}, pages={045322} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13750
@article{Pulci_Lüdge_Vogt_Esser_Schmidt_Richter_Bechstedt_2002, title={First-principles study of InP and GaP(001) surfaces}, DOI={10.1016/s0927-0256(01)00161-6}, journal={Computational Materials Science}, author={Pulci, O. and Lüdge, K. and Vogt, P. and Esser, N. and Schmidt, Wolf Gero and Richter, W. and Bechstedt, F.}, year={2002}, pages={32–37} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13755
@article{Lu_Schmidt_Briggs_Bernholc_2002, title={Optical Anisotropy of theSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model}, volume={85}, DOI={10.1103/physrevlett.85.4381}, number={20}, journal={Physical Review Letters}, author={Lu, Wenchang and Schmidt, Wolf Gero and Briggs, E. L. and Bernholc, J.}, year={2002}, pages={4381–4384} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13736
@article{Schmidt_Bechstedt_Lu_Bernholc_2002, title={Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001)}, volume={66}, DOI={10.1103/physrevb.66.085334}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Lu, W. and Bernholc, J.}, year={2002}, pages={0855334} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13737
@article{Seino_Schmidt_Bechstedt_Bernholc_2002, title={Structure and energetics of Ga-rich GaAs() surfaces}, volume={507–510}, DOI={10.1016/s0039-6028(02)01278-5}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J.}, year={2002}, pages={406–410} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13749
@article{Paget_Garreau_Sauvage_Chiaradia_Pinchaux_Schmidt_2002, title={X-ray diffraction analysis of the gallium-rich surface of GaAs(001)}, volume={64}, DOI={10.1103/physrevb.64.161305}, journal={Physical Review B}, author={Paget, D. and Garreau, Y. and Sauvage, M. and Chiaradia, P. and Pinchaux, R. and Schmidt, Wolf Gero}, year={2002}, pages={161305(R)} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13738
@article{Schmidt_Bechstedt_Bernholc_2002, title={GaAs(001) surface reconstructions: geometries, chemical bonding and optical properties}, volume={190}, DOI={10.1016/s0169-4332(01)00862-5}, journal={Applied Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J.}, year={2002}, pages={264–268} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13740
@article{Hahn_Schmidt_Bechstedt_2002, title={Bulk Excitonic Effects in Surface Optical Spectra}, volume={88}, DOI={10.1103/physrevlett.88.016402}, number={1}, journal={Physical Review Letters}, author={Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2002} }
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13745
@article{Onida_Schmidt_Pulci_Palummo_Marini_Hogan_Del Sole_2002, title={Theory for Modeling the Optical Properties of Surfaces}, volume={188}, DOI={10.1002/1521-396x(200112)188:4<1233::aid-pssa1233>3.0.co;2-w}, number={4}, journal={physica status solidi (a)}, author={Onida, G. and Schmidt, Wolf Gero and Pulci, O. and Palummo, M. and Marini, A. and Hogan, C. and Del Sole, R.}, year={2002}, pages={1233–1242} }
LibreCat
| DOI
2001 | Journal Article | LibreCat-ID: 13753
@article{Pulci_Schmidt_Bechstedt_2001, title={Structure and Energetics of P-rich GaP(001) Surfaces}, volume={184}, DOI={10.1002/1521-396x(200103)184:1<105::aid-pssa105>3.0.co;2-d}, number={1}, journal={physica status solidi (a)}, author={Pulci, O. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2001}, pages={105–110} }
LibreCat
| DOI
2001 | Journal Article | LibreCat-ID: 13847
@article{Hingerl_Balderas-Navarro_Bonanni_Tichopadek_Schmidt_2001, title={On the origin of resonance features in reflectance difference data of silicon}, volume={175–176}, DOI={10.1016/s0169-4332(01)00114-3}, journal={Applied Surface Science}, author={Hingerl, K and Balderas-Navarro, R.E and Bonanni, A and Tichopadek, P and Schmidt, Wolf Gero}, year={2001}, pages={769–776} }
LibreCat
| DOI
2001 | Journal Article | LibreCat-ID: 13849
@article{Schmidt_Bechstedt_Bernholc_2001, title={Terrace and step contributions to the optical anisotropy of Si(001) surfaces}, volume={63}, DOI={10.1103/physrevb.63.045322}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J.}, year={2001} }
LibreCat
| DOI
2001 | Journal Article | LibreCat-ID: 13751
@article{Esser_Schmidt_Cobet_Fleischer_Shkrebtii_Fimland_Richter_2001, title={Atomic structure and optical anisotropy of III–V(001) surfaces}, volume={19}, DOI={10.1116/1.1394730}, number={51756}, journal={Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures}, author={Esser, N. and Schmidt, Wolf Gero and Cobet, C. and Fleischer, K. and Shkrebtii, A. I. and Fimland, B. O. and Richter, W.}, year={2001} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13758
@article{Frisch_Vogt_Visbeck_Hannappel_Willig_Braun_Richter_Bernholc_Schmidt_Esser_2000, title={Angle Resolved Photoemission Spectroscopy of the InP(001) surface}, volume={166}, DOI={10.1016/s0169-4332(00)00431-1}, journal={Applied Surface Science}, author={Frisch, A.M. and Vogt, P. and Visbeck, S. and Hannappel, Th. and Willig, F. and Braun, W. and Richter, W. and Bernholc, J. and Schmidt, Wolf Gero and Esser, N.}, year={2000}, pages={224–230} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13760
@article{Schmidt_Esser_Frisch_Vogt_Bernholc_Bechstedt_Zorn_Hannappel_Visbeck_Willig_et al._2000, title={Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum ofInP(001)(2×4)}, volume={61}, DOI={10.1103/physrevb.61.r16335}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Esser, N. and Frisch, A. M. and Vogt, P. and Bernholc, J. and Bechstedt, F. and Zorn, M. and Hannappel, Th. and Visbeck, S. and Willig, F. and et al.}, year={2000}, pages={R16335–R16338} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13759
@article{Schmidt_Mirbt_Bechstedt_2000, title={Surface phase diagram of (2×4) and (4×2) reconstructions of GaAs(001)}, volume={62}, DOI={10.1103/physrevb.62.8087}, number={12}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Mirbt, S. and Bechstedt, F.}, year={2000}, pages={8087–8091} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13761
@article{Schmidt_Bechstedt_Bernholc_2000, title={Understanding reflectance anisotropy: Surface-state signatures and bulk-related features}, volume={18}, DOI={10.1116/1.1305289}, number={42215}, journal={Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures}, author={Schmidt, Wolf Gero and Bechstedt, F. and Bernholc, J.}, year={2000} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13762
@article{Schmidt_Bernholc_2000, title={Step-induced optical anisotropy of Si(111):H surfaces}, volume={61}, DOI={10.1103/physrevb.61.7604}, number={11}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bernholc, J.}, year={2000}, pages={7604–7608} }
LibreCat
| DOI
2000 | Book Chapter | LibreCat-ID: 13763
@inbook{Bernholc_Briggs_Bungaro_Buongiorno Nardelli_Fattebert_Rapcewicz_Roland_Schmidt_Zhao_2000, series={217}, title={Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes and Quantum Transport}, volume={1}, DOI={10.1002/3527603107.ch33}, booktitle={Computer Simulation of Materials at Atomic Level}, publisher={physica status solidi (b)}, author={Bernholc, J. and Briggs, E. L. and Bungaro, C. and Buongiorno Nardelli, M. and Fattebert, J. -L. and Rapcewicz, K. and Roland, C. and Schmidt, Wolf Gero and Zhao, Q.}, year={2000}, pages={685–701}, collection={217} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13756
@article{Pulci_Lüdge_Schmidt_Bechstedt_2000, title={First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces}, volume={464}, DOI={10.1016/s0039-6028(00)00729-9}, journal={Surface Science}, author={Pulci, Olivia and Lüdge, Kathy and Schmidt, Wolf Gero and Bechstedt, F}, year={2000}, pages={272–282} }
LibreCat
| DOI
2000 | Journal Article | LibreCat-ID: 13757
@article{Schmidt_Bernholc_Bechstedt_2000, title={(001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures}, volume={166}, DOI={10.1016/s0169-4332(00)00406-2}, journal={Applied Surface Science}, author={Schmidt, Wolf Gero and Bernholc, J. and Bechstedt, F.}, year={2000}, pages={179–184} }
LibreCat
| DOI
1999 | Journal Article | LibreCat-ID: 13765
@article{Schmidt_FATTEBERT_BERNHOLC_BECHSTEDT_1999, title={SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001)}, volume={6}, DOI={10.1142/s0218625x99001281}, number={6}, journal={Surface Review and Letters}, author={Schmidt, Wolf Gero and FATTEBERT, J. L. and BERNHOLC, J. and BECHSTEDT, F.}, year={1999}, pages={1159–1165} }
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| DOI
1999 | Journal Article | LibreCat-ID: 13766
@article{Bechstedt_Pulci_Schmidt_1999, title={Theoretical Aspects of the Optical Response of Semiconductor Surfaces}, volume={175}, DOI={10.1002/(sici)1521-396x(199909)175:1<5::aid-pssa5>3.0.co;2-9}, number={5}, journal={physica status solidi (a)}, author={Bechstedt, F. and Pulci, O. and Schmidt, Wolf Gero}, year={1999}, pages={5–16} }
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| DOI
1999 | Journal Article | LibreCat-ID: 13767
@article{Esser_Schmidt_Bernholc_Frisch_Vogt_Zorn_Pristovsek_Richter_Bechstedt_Hannappel_et al._1999, title={GaP(001) and InP(001): Reflectance anisotropy and surface geometry}, volume={17}, DOI={10.1116/1.590810}, number={41691}, journal={Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures}, author={Esser, N. and Schmidt, Wolf Gero and Bernholc, J. and Frisch, A. M. and Vogt, P. and Zorn, M. and Pristovsek, M. and Richter, W. and Bechstedt, F. and Hannappel, Th. and et al.}, year={1999} }
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| DOI
1999 | Journal Article | LibreCat-ID: 13768
@article{Frisch_Schmidt_Bernholc_Pristovsek_Esser_Richter_1999, title={(2×4)GaP(001) surface: Atomic structure and optical anisotropy}, volume={60}, DOI={10.1103/physrevb.60.2488}, number={4}, journal={Physical Review B}, author={Frisch, A. M. and Schmidt, Wolf Gero and Bernholc, J. and Pristovsek, M. and Esser, N. and Richter, W.}, year={1999}, pages={2488–2494} }
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| DOI
1999 | Journal Article | LibreCat-ID: 13764
@article{Bechstedt_Adolph_Schmidt_1999, title={Ab initio calculation of linear and nonlinear optical properties of semiconductor structures}, volume={29}, DOI={10.1590/s0103-97331999000400007}, number={4}, journal={Brazilian Journal of Physics}, author={Bechstedt, F. and Adolph, B. and Schmidt, Wolf Gero}, year={1999} }
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| DOI
1999 | Journal Article | LibreCat-ID: 13769
@article{Schmidt_Briggs_Bernholc_Bechstedt_1999, title={Structural fingerprints in the reflectance anisotropy spectra ofInP(001)(2×4)surfaces}, volume={59}, DOI={10.1103/physrevb.59.2234}, number={3}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Briggs, E. L. and Bernholc, J. and Bechstedt, F.}, year={1999}, pages={2234–2239} }
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| DOI
1998 | Journal Article | LibreCat-ID: 13772
@article{Schmidt_Bechstedt_1998, title={Geometry and electronic structure of InP(001)(2×4) reconstructions}, volume={409}, DOI={10.1016/s0039-6028(98)00260-x}, number={3}, journal={Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1998}, pages={474–484} }
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| DOI
1998 | Journal Article | LibreCat-ID: 13773
@article{Schmidt_Bechstedt_Esser_Pristovsek_Schultz_Richter_1998, title={Atomic structure of InP(001)-(2×4): A dimer reconstruction}, volume={57}, DOI={10.1103/physrevb.57.14596}, number={23}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Esser, N. and Pristovsek, M. and Schultz, Ch. and Richter, W.}, year={1998}, pages={14596–14599} }
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| DOI
1998 | Journal Article | LibreCat-ID: 13774
@article{Schmidt_Käckell_Bechstedt_1998, title={In-induced (4 × 2) reconstructions of GaAs(001) surfaces}, volume={123–124}, DOI={10.1016/s0169-4332(97)00510-2}, journal={Applied Surface Science}, author={Schmidt, Wolf Gero and Käckell, P. and Bechstedt, F.}, year={1998}, pages={136–140} }
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| DOI
1998 | Journal Article | LibreCat-ID: 13771
@article{Shkrebtii_Esser_Richter_Schmidt_Bechstedt_Fimland_Kley_Del Sole_1998, title={Reflectance Anisotropy of GaAs(100): Theory and Experiment}, volume={81}, DOI={10.1103/physrevlett.81.721}, number={3}, journal={Physical Review Letters}, author={Shkrebtii, A. I. and Esser, N. and Richter, W. and Schmidt, Wolf Gero and Bechstedt, F. and Fimland, B. O. and Kley, A. and Del Sole, R.}, year={1998}, pages={721–724} }
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| DOI
1997 | Journal Article | LibreCat-ID: 13859
@article{Nilen_Connell_Britton_Fischer_Sendezera_Schmidt_Sellschop_Verwoerd_1997, title={A High Resolution Investigation of the Anisotropic Electron-Positron Momentum Distribution in Diamond}, volume={255–257}, DOI={10.4028/www.scientific.net/msf.255-257.475}, journal={Materials Science Forum}, author={Nilen, R.W.N. and Connell, S.H. and Britton, D.T. and Fischer, C.G. and Sendezera, E.J. and Schmidt, Wolf Gero and Sellschop, J.P.F. and Verwoerd, W.S.}, year={1997}, pages={475–478} }
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| DOI
1997 | Journal Article | LibreCat-ID: 13777
@article{Grossner_Schmidt_Bechstedt_1997, title={As on InP(110) studied within density-functional theory}, volume={56}, DOI={10.1103/physrevb.56.6719}, number={11}, journal={Physical Review B}, author={Grossner, U. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1997}, pages={6719–6726} }
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| DOI
1997 | Journal Article | LibreCat-ID: 13778
@article{Großner_Schmidt_Bechstedt_Santos_Koopmans_Esser_1997, title={Chemisorption of arsenic on InP(110)}, volume={377–379}, DOI={10.1016/s0039-6028(96)01469-0}, journal={Surface Science}, author={Großner, U. and Schmidt, Wolf Gero and Bechstedt, F. and Santos, P.V. and Koopmans, B. and Esser, N.}, year={1997}, pages={619–622} }
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| DOI
1997 | Journal Article | LibreCat-ID: 13780
@article{Schmidt_Bechstedt_1997, title={Antimony-stabilized GaAs(001)(2×4) reconstructions}, volume={55}, DOI={10.1103/physrevb.55.13051}, number={19}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1997}, pages={13051–13057} }
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| DOI
1997 | Journal Article | LibreCat-ID: 13779
@article{Schmidt_Bechstedt_1997, title={Comparison of As-rich and Sb-terminated GaAs(100)(2 × 4) reconstructions}, volume={377–379}, DOI={10.1016/s0039-6028(96)01318-0}, journal={Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1997}, pages={11–14} }
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| DOI
1997 | Journal Article | LibreCat-ID: 13781
@article{Nilen_Connell_Schmidt_Britton_Verwoerd_Sellschop_Shrivastava_1997, title={Electron-positron momentum density distribution in diamond}, volume={116}, DOI={10.1016/s0169-4332(96)01078-1}, journal={Applied Surface Science}, author={Nilen, R.W.N. and Connell, S.H. and Schmidt, Wolf Gero and Britton, D.T. and Verwoerd, W.S. and Sellschop, J.P.F. and Shrivastava, S.}, year={1997}, pages={330–334} }
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| DOI
1997 | Journal Article | LibreCat-ID: 13775
@article{Schmidt_1997, title={(4×2) and (2×4) reconstructions of GaAs and InP(001) surfaces}, volume={65}, DOI={10.1007/s003390050625}, journal={Applied Physics A: Materials Science & Processing}, author={Schmidt, Wolf Gero}, year={1997}, pages={581–586} }
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| DOI
1997 | Journal Article | LibreCat-ID: 13776
@article{Nilen_Connell_Britton_Fischer_Sendezera_Schaaff_Schmidt_Sellschop_Verwoerd_1997, title={The anisotropic electron - positron momentum distribution in diamond}, volume={9}, DOI={10.1088/0953-8984/9/29/017}, journal={Journal of Physics: Condensed Matter}, author={Nilen, R W N and Connell, S H and Britton, D T and Fischer, C G and Sendezera, E J and Schaaff, P and Schmidt, Wolf Gero and Sellschop, J P F and Verwoerd, W S}, year={1997}, pages={6323–6333} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13784
@article{Santos_Koopmans_Esser_Schmidt_Bechstedt_1996, title={Optical Properties of Ordered As Layers on InP(110) Surfaces}, volume={77}, DOI={10.1103/physrevlett.77.759}, number={4}, journal={Physical Review Letters}, author={Santos, Paulo V. and Koopmans, B. and Esser, N. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1996}, pages={759–762} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13789
@article{Scholze_Schmidt_Bechstedt_1996, title={Structure of the diamond (111) surface: Single-dangling-bond versus triple-dangling-bond face}, volume={53}, DOI={10.1103/physrevb.53.13725}, number={20}, journal={Physical Review B}, author={Scholze, A. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1996}, pages={13725–13733} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13791
@article{Scholze_Schmidt_Bechstedt_1996, title={Diamond (111) and (100) surface reconstructions}, volume={281–282}, DOI={10.1016/0040-6090(96)08646-4}, journal={Thin Solid Films}, author={Scholze, A. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1996}, pages={256–259} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13785
@article{Schmidt_Bechstedt_1996, title={Atomic structures of GaAs(100)-(2 × 4) reconstructions}, volume={360}, DOI={10.1016/0039-6028(96)00728-5}, number={1}, journal={Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1996}, pages={L473–L477} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13792
@article{Schmidt_Bechstedt_Srivastava_1996, title={Phonons at III–V (110) surfaces}, volume={352–354}, DOI={10.1016/0039-6028(95)01095-5}, journal={Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, F. and Srivastava, G.P.}, year={1996}, pages={83–88} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13786
@article{Bechstedt_Schmidt_Scholze_1996, title={Adatoms and vacancies on the diamond(111) surface}, volume={35}, DOI={10.1209/epl/i1996-00155-0}, number={8}, journal={Europhysics Letters (EPL)}, author={Bechstedt, F and Schmidt, Wolf Gero and Scholze, A}, year={1996}, pages={585–590} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13793
@article{Schmidt_Scholze_Bechstedt_1996, title={Dimerized, buckled, or ideal chains on the diamond (111)2 × 1 surface?}, volume={351}, DOI={10.1016/0039-6028(95)01270-2}, journal={Surface Science}, author={Schmidt, Wolf Gero and Scholze, A. and Bechstedt, F.}, year={1996}, pages={183–188} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13782
@article{Esser_Shkrebtii_Resch-Esser_Springer_Richter_Schmidt_Bechstedt_Del Sole_1996, title={Atomic Structure of the Sb-Stabilized GaAs(100)-(2×4) Surface}, volume={77}, DOI={10.1103/physrevlett.77.4402}, number={21}, journal={Physical Review Letters}, author={Esser, N. and Shkrebtii, A. I. and Resch-Esser, U. and Springer, C. and Richter, W. and Schmidt, Wolf Gero and Bechstedt, F. and Del Sole, R.}, year={1996}, pages={4402–4405} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13794
@article{Käckell_Schmidt_Bechstedt_1996, title={Se-induced 3d core-level shifts of GaAs(110)}, volume={104–105}, DOI={10.1016/s0169-4332(96)00135-3}, journal={Applied Surface Science}, author={Käckell, Peter and Schmidt, Wolf Gero and Bechstedt, Friedhelm}, year={1996}, pages={141–146} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13783
@article{Schmidt_Bechstedt_1996, title={Geometry and electronic structure of GaAs(001)(2×4) reconstructions}, volume={54}, DOI={10.1103/physrevb.54.16742}, number={23}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1996}, pages={16742–16748} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13788
@article{Schmidt_Verwoerd_1996, title={Annihilation of delocalized positrons: a comparison of diamond and silicon}, volume={222}, DOI={10.1016/0375-9601(96)00653-6}, number={4}, journal={Physics Letters A}, author={Schmidt, Wolf Gero and Verwoerd, W.S}, year={1996}, pages={275–280} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13790
@article{Schmidt_Käckell_Bechstedt_1996, title={3d core-level shifts at}, volume={357–358}, DOI={10.1016/0039-6028(96)00220-8}, journal={Surface Science}, author={Schmidt, Wolf Gero and Käckell, P. and Bechstedt, F.}, year={1996}, pages={545–549} }
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| DOI
1996 | Journal Article | LibreCat-ID: 13795
@article{Scholze_Schmidt_Käckell_Bechstedt_1996, title={Diamond (111) and (100) surface: ab initio study of the atomic and electronic structure}, volume={37}, DOI={10.1016/0921-5107(95)01477-2}, number={1–3}, journal={Materials Science and Engineering: B}, author={Scholze, A. and Schmidt, Wolf Gero and Käckell, P. and Bechstedt, F.}, year={1996}, pages={158–161} }
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| DOI
1995 | Journal Article | LibreCat-ID: 13796
@article{Santos_Esser_Groenen_Cardona_Schmidt_Bechstedt_1995, title={Hydrogen interaction with Sb-terminated GaAs and InP (110) surfaces}, volume={52}, DOI={10.1103/physrevb.52.17379}, number={24}, journal={Physical Review B}, author={Santos, Paulo V. and Esser, N. and Groenen, J. and Cardona, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1995}, pages={17379–17385} }
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| DOI
1995 | Journal Article | LibreCat-ID: 13797
@article{Santos_Esser_Cardona_Schmidt_Bechstedt_1995, title={Optical properties of Sb-terminated GaAs and InP (110) surfaces}, volume={52}, DOI={10.1103/physrevb.52.12158}, number={16}, journal={Physical Review B}, author={Santos, Paulo V. and Esser, N. and Cardona, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1995}, pages={12158–12167} }
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| DOI
1995 | Journal Article | LibreCat-ID: 13800
@article{Kress_Fiedler_Schmidt_Bechstedt_1995, title={Quasi-particle band structure of C(111)2 × 1 and C(100)2 × 1 surfaces}, volume={331–333}, DOI={10.1016/0039-6028(95)00160-3}, journal={Surface Science}, author={Kress, Clemens and Fiedler, Marion and Schmidt, Wolf Gero and Bechstedt, Friedhelm}, year={1995}, pages={1152–1156} }
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| DOI
1995 | Journal Article | LibreCat-ID: 13850
@article{Kress_Fiedler_Schmidt_Bechstedt_1995, title={Geometrical and electronic structure of the reconstructed diamond (100) surface}, volume={50}, DOI={10.1103/physrevb.50.17697}, number={23}, journal={Physical Review B}, author={Kress, C. and Fiedler, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={1995}, pages={17697–17700} }
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| DOI
1995 | Journal Article | LibreCat-ID: 13798
@article{Schmidt_Bechstedt_Srivastava_1995, title={III-V(110) surface dynamics from anab initiofrozen-phonon approach}, volume={52}, DOI={10.1103/physrevb.52.2001}, number={3}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Srivastava, G. P.}, year={1995}, pages={2001–2007} }
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| DOI
1995 | Journal Article | LibreCat-ID: 13801
@article{Schmidt_Srivastava_1995, title={III-V(110)/Sb(1 ML): structural and dynamical properties}, volume={331–333}, DOI={10.1016/0039-6028(95)00304-5}, number={Part A}, journal={Surface Science}, author={Schmidt, Wolf Gero and Srivastava, G.P.}, year={1995}, pages={540–545} }
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| DOI
1995 | Journal Article | LibreCat-ID: 13851
@article{Schmidt_Bechstedt_1995, title={Exchange reactions versus adsorption geometries for Se/GaAs(110)}, volume={50}, DOI={10.1103/physrevb.50.17651}, number={23}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1995}, pages={17651–17654} }
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| DOI
1995 | Journal Article | LibreCat-ID: 13799
@article{Schmidt_Bechstedt_1995, title={Se/GaAs(110): energetics and structure}, volume={331–333}, DOI={10.1016/0039-6028(95)00317-7}, number={Part A}, journal={Surface Science}, author={Schmidt, Wolf Gero and Bechstedt, Friedhelm}, year={1995}, pages={557–563} }
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| DOI
1995 | Journal Article | LibreCat-ID: 13852
@article{Schmidt_Bechstedt_1995, title={Se/GaAs(110): Atomic and electronic structure}, volume={50}, DOI={10.1103/physrevb.50.17280}, number={23}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F.}, year={1995}, pages={17280–17291} }
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| DOI
1994 | Journal Article | LibreCat-ID: 13854
@article{Schmidt_Srivastava_1994, title={First principles calculations of interface phonons of an Epitaxial Sb monolayer on GaAs(110) and InP(110)}, volume={89}, DOI={10.1016/0038-1098(94)90597-5}, number={4}, journal={Solid State Communications}, author={Schmidt, Wolf Gero and Srivastava, GP}, year={1994}, pages={345–348} }
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| DOI
1994 | Journal Article | LibreCat-ID: 13855
@article{Schmidt_Wenzien_Bechstedt_1994, title={Coverage-dependent bonding of Sb on GaAs (110)}, volume={307–309}, DOI={10.1016/0039-6028(94)90400-6}, number={Part A}, journal={Surface Science}, author={Schmidt, Wolf Gero and Wenzien, Bernd and Bechstedt, Friedhelm}, year={1994}, pages={235–240} }
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| DOI
1994 | Journal Article | LibreCat-ID: 13856
@article{Schmidt_Wenzien_Bechstedt_1994, title={Chemisorption of antimony on GaAs(110)}, volume={49}, DOI={10.1103/physrevb.49.4731}, number={7}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Wenzien, B. and Bechstedt, F.}, year={1994}, pages={4731–4744} }
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| DOI
1994 | Journal Article | LibreCat-ID: 13853
@article{Bechstedt_Schmidt_Wenzien_1994, title={Energetics and Structure of Ordered Sb Overlayers and Sb Clusters on GaAs(110) Probed by Ab Initio Calculations}, volume={25}, DOI={10.1209/0295-5075/25/5/008}, number={5}, journal={Europhysics Letters (EPL)}, author={Bechstedt, F and Schmidt, Wolf Gero and Wenzien, B}, year={1994}, pages={357–362} }
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| DOI
1993 | Journal Article | LibreCat-ID: 13857
@article{Schmidt_Srivastava_1993, title={Chemisorption of aluminium on GaAs(110)}, volume={5}, DOI={10.1088/0953-8984/5/49/005}, number={49}, journal={Journal of Physics: Condensed Matter}, author={Schmidt, Wolf Gero and Srivastava, G P}, year={1993}, pages={9025–9036} }
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| DOI
1993 | Journal Article | LibreCat-ID: 13858
@article{Schmidt_Wenzien_Bechstedt_1993, title={AB initio calculation of the atomic and electronic structure for Sb adsorbed on GaAs(110)}, volume={43}, DOI={10.1007/bf01595293}, number={9–10}, journal={Czechoslovak Journal of Physics}, author={Schmidt, Wolf Gero and Wenzien, Bernd and Bechstedt, Friedhelm}, year={1993}, pages={1003–1007} }
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| DOI