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347 Publications
2017 | Journal Article | LibreCat-ID: 7481
@article{Riefer_Weber_Mund_Yakovlev_Bayer_Schindlmayr_Meier_Schmidt_2017, title={Zn–VI quasiparticle gaps and optical spectra from many-body calculations}, volume={29}, DOI={10.1088/1361-648x/aa6b2a}, number={21215702}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Riefer, Arthur and Weber, Nils and Mund, Johannes and Yakovlev, Dmitri R. and Bayer, Manfred and Schindlmayr, Arno and Meier, Cedrik and Schmidt, Wolf Gero}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 13412
@article{Konieczna_Biller_Witte_Schmidt_Neuba_Wilhelm_2017, title={New pyridinium based ionic dyes for the hydrogen evolution reaction}, DOI={10.1016/j.tet.2017.11.053}, journal={Tetrahedron}, author={Konieczna, Dagny D. and Biller, Harry and Witte, Matthias and Schmidt, Wolf Gero and Neuba, Adam and Wilhelm, René}, year={2017}, pages={142–149} }
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2017 | Journal Article | LibreCat-ID: 13414
@article{Riefer_Schmidt_2017, title={Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides}, volume={96}, DOI={10.1103/physrevb.96.235206}, number={23}, journal={Physical Review B}, author={Riefer, A. and Schmidt, Wolf Gero}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 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} }
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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} }
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2017 | Journal Article | LibreCat-ID: 13417
@article{Lücke_Gerstmann_Kühne_Schmidt_2017, title={Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition}, DOI={10.1002/jcc.24878}, journal={Journal of Computational Chemistry}, author={Lücke, Andreas and Gerstmann, Uwe and Kühne, Thomas D. and Schmidt, Wolf Gero}, year={2017}, pages={2276–2282} }
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2017 | Journal Article | LibreCat-ID: 13418
@article{Sanna_Schmidt_2017, title={LiNbO3 surfaces from a microscopic perspective}, DOI={10.1088/1361-648x/aa818d}, number={413001}, journal={Journal of Physics: Condensed Matter}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 13419
@article{Frigge_Hafke_Witte_Krenzer_Streubühr_Samad Syed_Mikšić Trontl_Avigo_Zhou_Ligges_et al._2017, title={Optically excited structural transition in atomic wires on surfaces at the quantum limit}, volume={544}, DOI={10.1038/nature21432}, journal={Nature}, author={Frigge, T. and Hafke, B. and Witte, T. and Krenzer, B. and Streubühr, C. and Samad Syed, A. and Mikšić Trontl, V. and Avigo, I. and Zhou, P. and Ligges, M. and et al.}, year={2017}, pages={207–211} }
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2017 | Journal Article | LibreCat-ID: 13420
@article{Nozaki_Schmidt_2017, title={Current density analysis of electron transport through molecular wires in open quantum systems}, volume={38}, DOI={10.1002/jcc.24812}, journal={Journal of Computational Chemistry}, author={Nozaki, Daijiro and Schmidt, Wolf Gero}, year={2017}, pages={1685–1692} }
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2017 | Journal Article | LibreCat-ID: 13421
@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}, volume={95}, DOI={10.1103/physrevb.95.155310}, number={15}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2017} }
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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} }
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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} }
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2017 | Journal Article | LibreCat-ID: 13424
@article{Aldahhak_Paszkiewicz_Allegretti_Duncan_Tebi_Deimel_Casado Aguilar_Zhang_Papageorgiou_Koch_et al._2017, title={X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization}, volume={121}, DOI={10.1021/acs.jpcc.6b09935}, journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Paszkiewicz, M. and Allegretti, F. and Duncan, D. A. and Tebi, S. and Deimel, P. S. and Casado Aguilar, P. and Zhang, Y.-Q. and Papageorgiou, A. C. and Koch, R. and et al.}, year={2017}, pages={2192–2200} }
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2017 | Journal Article | LibreCat-ID: 13425
@article{Rohrmüller_Schmidt_Gerstmann_2017, title={Electron paramagnetic resonance calculations for hydrogenated Si surfaces}, volume={95}, DOI={10.1103/physrevb.95.125310}, number={12}, journal={Physical Review B}, author={Rohrmüller, M. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 13426
@article{Edler_Miccoli_Stöckmann_Pfnür_Braun_Neufeld_Sanna_Schmidt_Tegenkamp_2017, title={Tuning the conductivity along atomic chains by selective chemisorption}, volume={95}, DOI={10.1103/physrevb.95.125409}, number={12}, journal={Physical Review B}, author={Edler, F. and Miccoli, I. and Stöckmann, J. P. and Pfnür, H. and Braun, Christian and Neufeld, Sergej and Sanna, S. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 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} }
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2017 | Journal Article | LibreCat-ID: 10021 |
@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory}, volume={1}, DOI={10.1103/PhysRevMaterials.1.034401}, number={3034401}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 10023 |
@article{Schmidt_Landmann_Rauls_Argiolas_Sanna_Schmidt_Schindlmayr_2017, title={Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory}, volume={2017}, DOI={10.1155/2017/3981317}, number={3981317}, journal={Advances in Materials Science and Engineering}, publisher={Hindawi}, author={Schmidt, Falko and Landmann, Marc and Rauls, Eva and Argiolas, Nicola and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2017} }
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2017 | Journal Article | LibreCat-ID: 13803
@article{Giannozzi_Andreussi_Brumme_Bunau_Buongiorno Nardelli_Calandra_Car_Cavazzoni_Ceresoli_Cococcioni_et al._2017, title={Advanced capabilities for materials modelling with Quantum ESPRESSO}, volume={29}, DOI={10.1088/1361-648x/aa8f79}, number={46465901}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi, P and Andreussi, O and Brumme, T and Bunau, O and Buongiorno Nardelli, M and Calandra, M and Car, R and Cavazzoni, C and Ceresoli, D and Cococcioni, M and et al.}, year={2017} }
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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} }
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2016 | Journal Article | LibreCat-ID: 13459
@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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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2016 | Journal Article | LibreCat-ID: 13487
@article{Witte_Gerstmann_Neuba_Henkel_Schmidt_2016, title={Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2}, volume={37}, DOI={10.1002/jcc.24289}, journal={Journal of Computational Chemistry}, author={Witte, M. and Gerstmann, Uwe and Neuba, Adam and Henkel, G. and Schmidt, Wolf Gero}, year={2016}, pages={1005–1018} }
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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} }
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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} }
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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} }
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| 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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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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} }
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2015 | Journal Article | LibreCat-ID: 13503
@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} }
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2015 | Journal Article | LibreCat-ID: 13504
@article{Sanna_Dues_Schmidt_2015, title={Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles}, volume={103}, 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} }
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| 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: 22947
@article{Oreshnikov_Driben_Yulin_2015, title={Interaction of high-order solitons with external dispersive waves}, DOI={10.1364/ol.40.005554}, number={5554}, journal={Optics Letters}, author={Oreshnikov, I. and Driben, R. and Yulin, A. V.}, year={2015} }
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} }
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| 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: 13519
@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: 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} }
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| DOI
2011 | Journal Article | LibreCat-ID: 13564
@article{dos Santos_Schmidt_Rauls_2011, title={Group-VII point defects in ZnSe}, volume={84}, DOI={10.1103/physrevb.84.115201}, number={11}, journal={Physical Review B}, author={dos Santos, L. S. and Schmidt, Wolf Gero and Rauls, E.}, year={2011} }
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| DOI
2011 | Journal Article | LibreCat-ID: 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