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727 Publications
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: 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: 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: 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: 15846
@article{Schumacher_Galbraith_Ruseckas_Turnbull_Samuel_2010, title={Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach}, DOI={10.1103/physrevb.81.245407}, journal={Physical Review B}, author={Schumacher, Stefan and Galbraith, Ian and Ruseckas, Arvydas and Turnbull, Graham A. and Samuel, Ifor D. W.}, year={2010} }
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
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| 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: 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: 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: 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: 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} }
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| DOI