Wolf Gero Schmidt
Department Physik
Theoretische Materialphysik
Center for Optoelectronics and Photonics (CeOPP)
Sonderforschungsbereich Transregio 142
Paderborn Center for Parallel Computing (PC2)
Fakultät für Naturwissenschaften
w.g.schmidt@uni-paderborn.deID
343 Publications
2023 | Journal Article | LibreCat-ID: 43827 | 
@article{Meier_Badalov_Biktagirov_Schmidt_Wilhelm_2023, title={Diquat Based Dyes: A New Class of Photoredox Catalysts and Their Use in Aerobic Thiocyanation}, volume={29}, DOI={10.1002/chem.202203541}, number={22}, journal={Chemistry – A European Journal}, publisher={Wiley}, author={Meier, Armin and Badalov, Sabuhi and Biktagirov, Timur and Schmidt, Wolf Gero and Wilhelm, René}, year={2023}, pages={e202203541} }
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2023 | Journal Article | LibreCat-ID: 45764 |
@article{Badalov_Bocchini_Wilhelm_Kozub_Gerstmann_Schmidt, title={Rutile, anatase, brookite and titania thin film from Hubbard corrected and hybrid DFT}, DOI={10.1088/2053-1591/ace0fa}, journal={Materials Research Express}, publisher={IOP Publishing}, author={Badalov, Sabuhi and Bocchini, Adriana and Wilhelm, Rene and Kozub, A. L. and Gerstmann, Uwe and Schmidt, Wolf Gero} }
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2023 | Journal Article | LibreCat-ID: 47997 |
@article{Neufeld_Gerstmann_Padberg_Eigner_Berth_Silberhorn_Eng_Schmidt_Rüsing_2023, title={Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family}, volume={13}, DOI={10.3390/cryst13101423}, number={101423}, journal={Crystals}, publisher={MDPI AG}, author={Neufeld, Sergej and Gerstmann, Uwe and Padberg, Laura and Eigner, Christof and Berth, Gerhard and Silberhorn, Christine and Eng, Lukas M. and Schmidt, Wolf Gero and Rüsing, Michael}, year={2023} }
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2023 | Journal Article | LibreCat-ID: 49634
@article{Ruiz Alvarado_Zare Pour_Hannappel_Schmidt_2023, title={Structural fingerprints in the reflectance anisotropy of AlInP(001)}, volume={108}, DOI={10.1103/physrevb.108.045410}, number={4045410}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Ruiz Alvarado, Isaac Azahel and Zare Pour, Mohammad Amin and Hannappel, Thomas and Schmidt, Wolf Gero}, year={2023} }
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2022 | Book Chapter | LibreCat-ID: 30288
@inbook{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2022, place={Basel}, title={Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response}, DOI={10.3390/books978-3-0365-3339-1}, booktitle={New Trends in Lithium Niobate: From Bulk to Nanocrystals}, publisher={MDPI}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, editor={Corradi, Gábor and Kovács, László}, year={2022}, pages={231–248} }
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2022 | Journal Article | LibreCat-ID: 37711
@article{Krenz_Gerstmann_Schmidt_2022, title={Bound polaron formation in lithium niobate from ab initio molecular dynamics}, volume={128}, DOI={10.1007/s00339-022-05577-y}, journal={Applied Physics A}, publisher={Springer Science and Business Media LLC}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2022}, pages={480} }
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2022 | Journal Article | LibreCat-ID: 33484 |
@article{Padberg_Quiring_Bocchini_Santandrea_Gerstmann_Schmidt_Silberhorn_Eigner_2022, title={DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking}, volume={12}, DOI={10.3390/cryst12101359}, journal={Crystals}, author={Padberg, Laura and Quiring, Viktor and Bocchini, Adriana and Santandrea, Matteo and Gerstmann, Uwe and Schmidt, Wolf Gero and Silberhorn, Christine and Eigner, Christof}, year={2022}, pages={1359} }
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2022 | Journal Article | LibreCat-ID: 26627 |
@article{Neufeld_Schindlmayr_Schmidt_2022, title={Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4}, volume={5}, DOI={10.1088/2515-7639/ac3384}, number={1015002}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Neufeld, Sergej and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2022} }
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2022 | Journal Article | LibreCat-ID: 37656
@article{Glahn_Ruiz Alvarado_Neufeld_Zare Pour_Paszuk_Ostheimer_Shekarabi_Romanyuk_Moritz_Hofmann_et al._2022, title={Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties}, volume={259}, DOI={10.1002/pssb.202200308}, number={112200308}, journal={physica status solidi (b)}, publisher={Wiley}, author={Glahn, Luis Joel and Ruiz Alvarado, Isaac Azahel and Neufeld, Sergej and Zare Pour, Mohammad Amin and Paszuk, Agnieszka and Ostheimer, David and Shekarabi, Sahar and Romanyuk, Oleksandr and Moritz, Dominik Christian and Hofmann, Jan Philipp and et al.}, year={2022} }
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2022 | Journal Article | LibreCat-ID: 37710
@article{Ruiz Alvarado_Schmidt_2022, title={Water/InP(001) from Density Functional Theory}, volume={7}, DOI={10.1021/acsomega.2c00948}, number={23}, journal={ACS Omega}, publisher={American Chemical Society (ACS)}, author={Ruiz Alvarado, Isaac Azahel and Schmidt, Wolf Gero}, year={2022}, pages={19355–19364} }
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2022 | Journal Article | LibreCat-ID: 37681
@article{Moritz_Ruiz Alvarado_Zare Pour_Paszuk_Frieß_Runge_Hofmann_Hannappel_Schmidt_Jaegermann_2022, title={P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water}, volume={14}, DOI={10.1021/acsami.2c13352}, number={41}, journal={ACS Applied Materials & Interfaces}, publisher={American Chemical Society (ACS)}, author={Moritz, Dominik Christian and Ruiz Alvarado, Isaac Azahel and Zare Pour, Mohammad Amin and Paszuk, Agnieszka and Frieß, Tilo and Runge, Erich and Hofmann, Jan P. and Hannappel, Thomas and Schmidt, Wolf Gero and Jaegermann, Wolfram}, year={2022}, pages={47255–47261} }
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2022 | Journal Article | LibreCat-ID: 37714
@article{Karmo_Ruiz Alvarado_Schmidt_Runge_2022, title={Reconstructions of the As-Terminated GaAs(001) Surface Exposed to Atomic Hydrogen}, volume={7}, DOI={10.1021/acsomega.1c06019}, number={6}, journal={ACS Omega}, publisher={American Chemical Society (ACS)}, author={Karmo, Marsel and Ruiz Alvarado, Isaac Azahel and Schmidt, Wolf Gero and Runge, Erich}, year={2022}, pages={5064–5068} }
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2022 | Journal Article | LibreCat-ID: 37713
@article{Murzakhanov_Mamin_Orlinskii_Gerstmann_Schmidt_Biktagirov_Aharonovich_Gottscholl_Sperlich_Dyakonov_et al._2022, title={Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN}, volume={22}, DOI={10.1021/acs.nanolett.1c04610}, number={7}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Murzakhanov, Fadis F. and Mamin, Georgy Vladimirovich and Orlinskii, Sergei Borisovich and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur and Aharonovich, Igor and Gottscholl, Andreas and Sperlich, Andreas and Dyakonov, Vladimir and et al.}, year={2022}, pages={2718–2724} }
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2022 | Journal Article | LibreCat-ID: 33965 |
@article{Bocchini_Gerstmann_Bartley_Steinrück_Henkel_Schmidt_2022, title={Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory}, volume={6}, DOI={10.1103/PhysRevMaterials.6.105401}, journal={Phys. Rev. Materials}, publisher={American Physical Society}, author={Bocchini, Adriana and Gerstmann, Uwe and Bartley, Tim and Steinrück, Hans-Georg and Henkel, Gerald and Schmidt, Wolf Gero}, year={2022}, pages={105401} }
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2022 | Journal Article | LibreCat-ID: 31254
@article{Bocchini_Gerstmann_Schmidt_2022, title={Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT}, volume={105}, DOI={10.1103/PhysRevB.105.205118}, journal={Phys. Rev. B}, publisher={American Physical Society}, author={Bocchini, Adriana and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2022}, pages={205118} }
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2022 | Journal Article | LibreCat-ID: 44088 |
@article{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2022, title={A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate}, volume={12}, DOI={10.3390/cryst12111586}, number={111586}, journal={Crystals}, publisher={MDPI AG}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2022} }
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2021 | Journal Article | LibreCat-ID: 29747
@article{Jurgen von Bardeleben_Cantin_Gerstmann_Schmidt_Biktagirov_2021, title={Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC}, volume={21}, DOI={10.1021/acs.nanolett.1c02564}, number={19}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Jurgen von Bardeleben, Hans and Cantin, Jean-Louis and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur}, year={2021}, pages={8119–8125} }
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2021 | Journal Article | LibreCat-ID: 40250
@article{Jain_Gerstmann_Schmidt_Aldahhak_2021, title={Adatom mediated adsorption of <scp>N‐heterocyclic</scp> carbenes on Cu(111) and Au(111)}, volume={43}, DOI={10.1002/jcc.26801}, number={6}, journal={Journal of Computational Chemistry}, publisher={Wiley}, author={Jain, Mitisha and Gerstmann, Uwe and Schmidt, Wolf Gero and Aldahhak, Hazem}, year={2021}, pages={413–420} }
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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}, journal={Crystals}, publisher={MDPI}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2021}, pages={542} }
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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}, volume={103}, 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}, pages={035303} }
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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: 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: 40244
@article{Meier_Schmidt_2021, title={GaInP/AlInP(001) Interfaces from Density Functional Theory}, volume={259}, DOI={10.1002/pssb.202100462}, number={12100462}, journal={physica status solidi (b)}, publisher={Wiley}, author={Meier, Lukas and Schmidt, Wolf Gero}, 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: 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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2021 | Journal Article | LibreCat-ID: 23418 |
@article{Kozub_Schindlmayr_Gerstmann_Schmidt_2021, title={Polaronic enhancement of second-harmonic generation in lithium niobate}, volume={104}, DOI={10.1103/PhysRevB.104.174110}, journal={Physical Review B}, publisher={American Physical Society}, author={Kozub, Agnieszka L. and Schindlmayr, Arno and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2021}, pages={174110} }
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2020 | Journal Article | LibreCat-ID: 40233
@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}, volume={258}, DOI={10.1002/pssb.202000463}, number={22000463}, journal={physica status solidi (b)}, publisher={Wiley}, author={Meier, Lukas and Braun, Christian and Hannappel, Thomas and Schmidt, Wolf Gero}, 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: 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: 29744
@article{Rosenthal_Lindner_Gerstmann_Meier_Schmidt_Wilhelm_2020, title={A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide}, volume={10}, DOI={10.1039/d0ra08749a}, number={70}, journal={RSC Advances}, publisher={Royal Society of Chemistry (RSC)}, author={Rosenthal, Marta and Lindner, Jörg and Gerstmann, Uwe and Meier, Armin and Schmidt, Wolf Gero and Wilhelm, René}, year={2020}, pages={42930–42937} }
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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: 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: 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: 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: 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: 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: 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: 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}, publisher={Willey}, author={Badalov, Sabuhi and Wilhelm, René and Schmidt, Wolf Gero}, year={2020}, pages={1921–1930} }
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2020 | Journal Article | LibreCat-ID: 20682
@article{Bocchini_Eigner_Silberhorn_Schmidt_Gerstmann_2020, title={Understanding gray track formation in KTP: Ti^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: 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: 29746
@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={15155107}, journal={Physical Review B}, publisher={American Physical Society (APS)}, 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: 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: 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}, 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}, pages={045003} }
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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}, volume={31}, DOI={10.1088/1361-648x/ab295c}, journal={Journal of Physics: Condensed Matter}, author={Bocchini, Adriana and Neufeld, Sergej and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2019}, pages={385401} }
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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: 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: 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: 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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| 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: 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: 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: 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: 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: 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: 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}, number={2890}, 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} }
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: 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: 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: 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: 4769
@article{Rüsing_Neufeld_Brockmeier_Eigner_Mackwitz_Spychala_Silberhorn_Schmidt_Berth_Zrenner_et al._2018, title={Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism}, volume={2}, DOI={10.1103/physrevmaterials.2.103801}, number={10}, journal={Physical Review Materials}, publisher={American Physical Society (APS)}, author={Rüsing, Michael and Neufeld, Sergej and Brockmeier, Julian and Eigner, Christof and Mackwitz, P. and Spychala, K. and Silberhorn, Christine and Schmidt, Wolf Gero and Berth, Gerhard and Zrenner, Artur and et al.}, year={2018} }
LibreCat
| DOI
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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| Files available
| DOI
| WoS
| PubMed | Europe PMC
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: 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: 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: 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
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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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
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: 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
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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
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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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 10026
@article{Rüsing_Sanna_Neufeld_Berth_Schmidt_Zrenner_Yu_Wang_Zhang_2016, title={Vibrational properties of LiNb1−xTaxO3 mixed crystals}, DOI={10.1103/physrevb.93.184305}, journal={Physical Review B}, author={Rüsing, Michael and Sanna, Simone 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
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: 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: 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
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| PubMed | Europe PMC
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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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
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: 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: 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: 4332
@article{Sanna_Neufeld_Rüsing_Berth_Zrenner_Schmidt_2015, title={Raman scattering efficiency in LiTaO3 and LiNbO3 crystals}, volume={91}, DOI={10.1103/physrevb.91.224302}, number={22}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Sanna, Simone and Neufeld, Sergej and Rüsing, Michael and Berth, Gerhard and Zrenner, Artur and Schmidt, Wolf Gero}, year={2015} }
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: 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: 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: 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: 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: 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: 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
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: 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: 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
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: 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: 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: 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: 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: 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: 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: 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 | 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: 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: 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}, number={1}, journal={Ferroelectrics}, author={Sanna, Simone and Riefer, A. and Neufeld, Sergej and Schmidt, Wolf Gero and Berth, Gerhard and Rüsing, Michael and Widhalm, A. and Zrenner, Artur}, year={2013}, pages={63–68} }
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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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
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: 4136
@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)}, publisher={Wiley}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Schmidt, Wolf Gero and Rauls, E. and Lindner, Jörg K. N.}, year={2012}, pages={1968–1973} }
LibreCat
| Files available
| 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 4543
@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Localised Phonon Modes at LiNbO3(0001) Surfaces}, volume={419}, DOI={10.1080/00150193.2011.594396}, number={1}, journal={Ferroelectrics}, publisher={Informa UK Limited}, author={Sanna, S. and Berth, Gerhard and Hahn, W. and Widhalm, A. and Zrenner, Artur and Schmidt, Wolf Gero}, year={2011}, pages={1–8} }
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: 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
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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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
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: 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: 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
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: 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: 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: 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: 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: 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: 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: 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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2023 | Journal Article | LibreCat-ID: 43827 |
@article{Meier_Badalov_Biktagirov_Schmidt_Wilhelm_2023, title={Diquat Based Dyes: A New Class of Photoredox Catalysts and Their Use in Aerobic Thiocyanation}, volume={29}, DOI={10.1002/chem.202203541}, number={22}, journal={Chemistry – A European Journal}, publisher={Wiley}, author={Meier, Armin and Badalov, Sabuhi and Biktagirov, Timur and Schmidt, Wolf Gero and Wilhelm, René}, year={2023}, pages={e202203541} }
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2023 | Journal Article | LibreCat-ID: 45764 |
@article{Badalov_Bocchini_Wilhelm_Kozub_Gerstmann_Schmidt, title={Rutile, anatase, brookite and titania thin film from Hubbard corrected and hybrid DFT}, DOI={10.1088/2053-1591/ace0fa}, journal={Materials Research Express}, publisher={IOP Publishing}, author={Badalov, Sabuhi and Bocchini, Adriana and Wilhelm, Rene and Kozub, A. L. and Gerstmann, Uwe and Schmidt, Wolf Gero} }
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2023 | Journal Article | LibreCat-ID: 47997 |
@article{Neufeld_Gerstmann_Padberg_Eigner_Berth_Silberhorn_Eng_Schmidt_Rüsing_2023, title={Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family}, volume={13}, DOI={10.3390/cryst13101423}, number={101423}, journal={Crystals}, publisher={MDPI AG}, author={Neufeld, Sergej and Gerstmann, Uwe and Padberg, Laura and Eigner, Christof and Berth, Gerhard and Silberhorn, Christine and Eng, Lukas M. and Schmidt, Wolf Gero and Rüsing, Michael}, year={2023} }
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2023 | Journal Article | LibreCat-ID: 49634
@article{Ruiz Alvarado_Zare Pour_Hannappel_Schmidt_2023, title={Structural fingerprints in the reflectance anisotropy of AlInP(001)}, volume={108}, DOI={10.1103/physrevb.108.045410}, number={4045410}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Ruiz Alvarado, Isaac Azahel and Zare Pour, Mohammad Amin and Hannappel, Thomas and Schmidt, Wolf Gero}, year={2023} }
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2022 | Book Chapter | LibreCat-ID: 30288
@inbook{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2022, place={Basel}, title={Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response}, DOI={10.3390/books978-3-0365-3339-1}, booktitle={New Trends in Lithium Niobate: From Bulk to Nanocrystals}, publisher={MDPI}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, editor={Corradi, Gábor and Kovács, László}, year={2022}, pages={231–248} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 37711
@article{Krenz_Gerstmann_Schmidt_2022, title={Bound polaron formation in lithium niobate from ab initio molecular dynamics}, volume={128}, DOI={10.1007/s00339-022-05577-y}, journal={Applied Physics A}, publisher={Springer Science and Business Media LLC}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2022}, pages={480} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 33484 |
@article{Padberg_Quiring_Bocchini_Santandrea_Gerstmann_Schmidt_Silberhorn_Eigner_2022, title={DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking}, volume={12}, DOI={10.3390/cryst12101359}, journal={Crystals}, author={Padberg, Laura and Quiring, Viktor and Bocchini, Adriana and Santandrea, Matteo and Gerstmann, Uwe and Schmidt, Wolf Gero and Silberhorn, Christine and Eigner, Christof}, year={2022}, pages={1359} }
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| Download (ext.)
2022 | Journal Article | LibreCat-ID: 26627 |
@article{Neufeld_Schindlmayr_Schmidt_2022, title={Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4}, volume={5}, DOI={10.1088/2515-7639/ac3384}, number={1015002}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Neufeld, Sergej and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2022} }
LibreCat
| Files available
| DOI
| WoS
2022 | Journal Article | LibreCat-ID: 37656
@article{Glahn_Ruiz Alvarado_Neufeld_Zare Pour_Paszuk_Ostheimer_Shekarabi_Romanyuk_Moritz_Hofmann_et al._2022, title={Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties}, volume={259}, DOI={10.1002/pssb.202200308}, number={112200308}, journal={physica status solidi (b)}, publisher={Wiley}, author={Glahn, Luis Joel and Ruiz Alvarado, Isaac Azahel and Neufeld, Sergej and Zare Pour, Mohammad Amin and Paszuk, Agnieszka and Ostheimer, David and Shekarabi, Sahar and Romanyuk, Oleksandr and Moritz, Dominik Christian and Hofmann, Jan Philipp and et al.}, year={2022} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 37710
@article{Ruiz Alvarado_Schmidt_2022, title={Water/InP(001) from Density Functional Theory}, volume={7}, DOI={10.1021/acsomega.2c00948}, number={23}, journal={ACS Omega}, publisher={American Chemical Society (ACS)}, author={Ruiz Alvarado, Isaac Azahel and Schmidt, Wolf Gero}, year={2022}, pages={19355–19364} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 37681
@article{Moritz_Ruiz Alvarado_Zare Pour_Paszuk_Frieß_Runge_Hofmann_Hannappel_Schmidt_Jaegermann_2022, title={P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water}, volume={14}, DOI={10.1021/acsami.2c13352}, number={41}, journal={ACS Applied Materials & Interfaces}, publisher={American Chemical Society (ACS)}, author={Moritz, Dominik Christian and Ruiz Alvarado, Isaac Azahel and Zare Pour, Mohammad Amin and Paszuk, Agnieszka and Frieß, Tilo and Runge, Erich and Hofmann, Jan P. and Hannappel, Thomas and Schmidt, Wolf Gero and Jaegermann, Wolfram}, year={2022}, pages={47255–47261} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 37714
@article{Karmo_Ruiz Alvarado_Schmidt_Runge_2022, title={Reconstructions of the As-Terminated GaAs(001) Surface Exposed to Atomic Hydrogen}, volume={7}, DOI={10.1021/acsomega.1c06019}, number={6}, journal={ACS Omega}, publisher={American Chemical Society (ACS)}, author={Karmo, Marsel and Ruiz Alvarado, Isaac Azahel and Schmidt, Wolf Gero and Runge, Erich}, year={2022}, pages={5064–5068} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 37713
@article{Murzakhanov_Mamin_Orlinskii_Gerstmann_Schmidt_Biktagirov_Aharonovich_Gottscholl_Sperlich_Dyakonov_et al._2022, title={Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN}, volume={22}, DOI={10.1021/acs.nanolett.1c04610}, number={7}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Murzakhanov, Fadis F. and Mamin, Georgy Vladimirovich and Orlinskii, Sergei Borisovich and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur and Aharonovich, Igor and Gottscholl, Andreas and Sperlich, Andreas and Dyakonov, Vladimir and et al.}, year={2022}, pages={2718–2724} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 33965 |
@article{Bocchini_Gerstmann_Bartley_Steinrück_Henkel_Schmidt_2022, title={Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory}, volume={6}, DOI={10.1103/PhysRevMaterials.6.105401}, journal={Phys. Rev. Materials}, publisher={American Physical Society}, author={Bocchini, Adriana and Gerstmann, Uwe and Bartley, Tim and Steinrück, Hans-Georg and Henkel, Gerald and Schmidt, Wolf Gero}, year={2022}, pages={105401} }
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2022 | Journal Article | LibreCat-ID: 31254
@article{Bocchini_Gerstmann_Schmidt_2022, title={Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT}, volume={105}, DOI={10.1103/PhysRevB.105.205118}, journal={Phys. Rev. B}, publisher={American Physical Society}, author={Bocchini, Adriana and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2022}, pages={205118} }
LibreCat
| DOI
2022 | Journal Article | LibreCat-ID: 44088 |
@article{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2022, title={A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate}, volume={12}, DOI={10.3390/cryst12111586}, number={111586}, journal={Crystals}, publisher={MDPI AG}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2022} }
LibreCat
| Files available
| DOI
| WoS
2021 | Journal Article | LibreCat-ID: 29747
@article{Jurgen von Bardeleben_Cantin_Gerstmann_Schmidt_Biktagirov_2021, title={Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC}, volume={21}, DOI={10.1021/acs.nanolett.1c02564}, number={19}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Jurgen von Bardeleben, Hans and Cantin, Jean-Louis and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur}, year={2021}, pages={8119–8125} }
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 40250
@article{Jain_Gerstmann_Schmidt_Aldahhak_2021, title={Adatom mediated adsorption of <scp>N‐heterocyclic</scp> carbenes on Cu(111) and Au(111)}, volume={43}, DOI={10.1002/jcc.26801}, number={6}, journal={Journal of Computational Chemistry}, publisher={Wiley}, author={Jain, Mitisha and Gerstmann, Uwe and Schmidt, Wolf Gero and Aldahhak, Hazem}, year={2021}, pages={413–420} }
LibreCat
| DOI
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}, journal={Crystals}, publisher={MDPI}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2021}, pages={542} }
LibreCat
| Files available
| DOI
| WoS
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}, volume={103}, 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}, pages={035303} }
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: 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: 40244
@article{Meier_Schmidt_2021, title={GaInP/AlInP(001) Interfaces from Density Functional Theory}, volume={259}, DOI={10.1002/pssb.202100462}, number={12100462}, journal={physica status solidi (b)}, publisher={Wiley}, author={Meier, Lukas and Schmidt, Wolf Gero}, 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: 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
2021 | Journal Article | LibreCat-ID: 23418 |
@article{Kozub_Schindlmayr_Gerstmann_Schmidt_2021, title={Polaronic enhancement of second-harmonic generation in lithium niobate}, volume={104}, DOI={10.1103/PhysRevB.104.174110}, journal={Physical Review B}, publisher={American Physical Society}, author={Kozub, Agnieszka L. and Schindlmayr, Arno and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2021}, pages={174110} }
LibreCat
| Files available
| DOI
| WoS
| arXiv
2020 | Journal Article | LibreCat-ID: 40233
@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}, volume={258}, DOI={10.1002/pssb.202000463}, number={22000463}, journal={physica status solidi (b)}, publisher={Wiley}, author={Meier, Lukas and Braun, Christian and Hannappel, Thomas and Schmidt, Wolf Gero}, 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: 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: 29744
@article{Rosenthal_Lindner_Gerstmann_Meier_Schmidt_Wilhelm_2020, title={A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide}, volume={10}, DOI={10.1039/d0ra08749a}, number={70}, journal={RSC Advances}, publisher={Royal Society of Chemistry (RSC)}, author={Rosenthal, Marta and Lindner, Jörg and Gerstmann, Uwe and Meier, Armin and Schmidt, Wolf Gero and Wilhelm, René}, year={2020}, pages={42930–42937} }
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: 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: 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: 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: 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: 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: 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: 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}, publisher={Willey}, author={Badalov, Sabuhi and Wilhelm, René and Schmidt, Wolf Gero}, year={2020}, pages={1921–1930} }
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2020 | Journal Article | LibreCat-ID: 20682
@article{Bocchini_Eigner_Silberhorn_Schmidt_Gerstmann_2020, title={Understanding gray track formation in KTP: Ti^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: 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: 29746
@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={15155107}, journal={Physical Review B}, publisher={American Physical Society (APS)}, 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: 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: 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}, 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}, pages={045003} }
LibreCat
| Files available
| DOI
| WoS
2019 | Journal Article | LibreCat-ID: 13429 |
@article{Bocchini_Neufeld_Gerstmann_Schmidt_2019, title={Oxygen and potassium vacancies in KTP calculated from first principles}, volume={31}, DOI={10.1088/1361-648x/ab295c}, journal={Journal of Physics: Condensed Matter}, author={Bocchini, Adriana and Neufeld, Sergej and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2019}, pages={385401} }
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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} }
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: 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: 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: 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: 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: 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: 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: 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: 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: 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}, number={2890}, 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} }
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: 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: 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: 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: 4769
@article{Rüsing_Neufeld_Brockmeier_Eigner_Mackwitz_Spychala_Silberhorn_Schmidt_Berth_Zrenner_et al._2018, title={Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism}, volume={2}, DOI={10.1103/physrevmaterials.2.103801}, number={10}, journal={Physical Review Materials}, publisher={American Physical Society (APS)}, author={Rüsing, Michael and Neufeld, Sergej and Brockmeier, Julian and Eigner, Christof and Mackwitz, P. and Spychala, K. and Silberhorn, Christine and Schmidt, Wolf Gero and Berth, Gerhard and Zrenner, Artur and et al.}, year={2018} }
LibreCat
| DOI
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: 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: 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: 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: 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
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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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
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: 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
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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
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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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 10026
@article{Rüsing_Sanna_Neufeld_Berth_Schmidt_Zrenner_Yu_Wang_Zhang_2016, title={Vibrational properties of LiNb1−xTaxO3 mixed crystals}, DOI={10.1103/physrevb.93.184305}, journal={Physical Review B}, author={Rüsing, Michael and Sanna, Simone 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
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: 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: 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
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| DOI
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| PubMed | Europe PMC
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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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
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: 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: 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: 4332
@article{Sanna_Neufeld_Rüsing_Berth_Zrenner_Schmidt_2015, title={Raman scattering efficiency in LiTaO3 and LiNbO3 crystals}, volume={91}, DOI={10.1103/physrevb.91.224302}, number={22}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Sanna, Simone and Neufeld, Sergej and Rüsing, Michael and Berth, Gerhard and Zrenner, Artur and Schmidt, Wolf Gero}, year={2015} }
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: 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: 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: 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: 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: 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: 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
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: 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: 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
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: 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: 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: 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: 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: 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: 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: 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 | 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: 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: 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}, number={1}, journal={Ferroelectrics}, author={Sanna, Simone and Riefer, A. and Neufeld, Sergej and Schmidt, Wolf Gero and Berth, Gerhard and Rüsing, Michael and Widhalm, A. and Zrenner, Artur}, year={2013}, pages={63–68} }
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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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
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: 4136
@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)}, publisher={Wiley}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Schmidt, Wolf Gero and Rauls, E. and Lindner, Jörg K. N.}, year={2012}, pages={1968–1973} }
LibreCat
| Files available
| 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: 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: 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: 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: 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} }
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| 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: 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} }
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| 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} }
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| 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} }
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| 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} }
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| 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} }
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| 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} }
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| DOI
2011 | Journal Article | LibreCat-ID: 4543
@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Localised Phonon Modes at LiNbO3(0001) Surfaces}, volume={419}, DOI={10.1080/00150193.2011.594396}, number={1}, journal={Ferroelectrics}, publisher={Informa UK Limited}, author={Sanna, S. and Berth, Gerhard and Hahn, W. and Widhalm, A. and Zrenner, Artur and Schmidt, Wolf Gero}, year={2011}, pages={1–8} }
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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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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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} }
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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} }
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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: 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
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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} }
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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} }
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| 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} }
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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} }
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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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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: 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} }
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| 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
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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} }
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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} }
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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} }
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| 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: 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} }
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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} }
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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: 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} }
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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} }
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| 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
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: 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: 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
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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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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
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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} }
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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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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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