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357 Publications
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
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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} }
LibreCat
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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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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
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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} }
LibreCat
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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} }
LibreCat
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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} }
LibreCat
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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} }
LibreCat
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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} }
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
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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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