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777 Publications
2011 | Journal Article | LibreCat-ID: 13564
Santos, L. S. dos, Wolf Gero Schmidt, and E. Rauls. “Group-VII Point Defects in ZnSe.” Physical Review B 84, no. 11 (2011). https://doi.org/10.1103/physrevb.84.115201.
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| DOI
2011 | Journal Article | LibreCat-ID: 13565
Müllegger, Stefan, Wolfgang Schöfberger, Mohammad Rashidi, Thomas Lengauer, Florian Klappenberger, Katharina Diller, Kamuran Kara, et al. “Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System.” ACS Nano 5, no. 8 (2011): 6480–86. https://doi.org/10.1021/nn201708c.
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| DOI
2011 | Journal Article | LibreCat-ID: 13568
Mietze, C., M. Landmann, E. Rauls, H. Machhadani, S. Sakr, M. Tchernycheva, F. H. Julien, Wolf Gero Schmidt, K. Lischka, and Donat Josef As. “Band Offsets in Cubic GaN/AlN Superlattices.” Physical Review B 83, no. 19 (2011). https://doi.org/10.1103/physrevb.83.195301.
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| DOI
2011 | Journal Article | LibreCat-ID: 13570
Müllegger, S., M. Rashidi, T. Lengauer, E. Rauls, Wolf Gero Schmidt, G. Knör, W. Schöfberger, and R. Koch. “Asymmetric Saddling of Single Porphyrin Molecules on Au(111).” Physical Review B 83, no. 16 (2011). https://doi.org/10.1103/physrevb.83.165416.
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| DOI
2011 | Journal Article | LibreCat-ID: 13571
Thierfelder, C., M. Witte, S. Blankenburg, E. Rauls, and Wolf Gero Schmidt. “Methane Adsorption on Graphene from First Principles Including Dispersion Interaction.” Surface Science 605 (2011): 746–49. https://doi.org/10.1016/j.susc.2011.01.012.
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| DOI
2011 | Journal Article | LibreCat-ID: 13823
Sanna, S., G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and Wolf Gero Schmidt. “Vibrational Properties of the LiNbO3 Z-Surfaces.” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control 58, no. 9 (2011): 1751–56. https://doi.org/10.1109/tuffc.2011.2012.
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| DOI
2011 | Journal Article | LibreCat-ID: 13825
Sanna, S., C. Thierfelder, S. Wippermann, T. P. Sinha, and Wolf Gero Schmidt. “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.” Physical Review B 83, no. 5 (2011). https://doi.org/10.1103/physrevb.83.054112.
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| DOI
2011 | Journal Article | LibreCat-ID: 4543
Sanna, S., Gerhard Berth, W. Hahn, A. Widhalm, Artur Zrenner, and Wolf Gero Schmidt. “Localised Phonon Modes at LiNbO3(0001) Surfaces.” Ferroelectrics 419, no. 1 (2011): 1–8. https://doi.org/10.1080/00150193.2011.594396.
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| DOI
2010 | Journal Article | LibreCat-ID: 15846
Schumacher, Stefan, Ian Galbraith, Arvydas Ruseckas, Graham A. Turnbull, and Ifor D. W. Samuel. “Dynamics of Photoexcitation and Stimulated Optical Emission in Conjugated Polymers: A Multiscale Quantum-Chemistry and Maxwell-Bloch-Equations Approach.” Physical Review B, 2010. https://doi.org/10.1103/physrevb.81.245407.
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| DOI
2010 | Journal Article | LibreCat-ID: 13573
Thierfelder, Christian, Simone Sanna, Arno Schindlmayr, and Wolf Gero Schmidt. “Do We Know the Band Gap of Lithium Niobate?” Physica Status Solidi C 7, no. 2 (2010): 362–65. https://doi.org/10.1002/pssc.200982473.
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2010 | Journal Article | LibreCat-ID: 13574
Gerstmann, Uwe, M. Rohrmüller, F. Mauri, and Wolf Gero Schmidt. “Ab Initiog-Tensor Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.” Physica Status Solidi (C) 7, no. 2 (2010): 157–60. https://doi.org/10.1002/pssc.200982462.
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| DOI
2010 | Journal Article | LibreCat-ID: 13581
Wippermann, S., Wolf Gero Schmidt, F. Bechstedt, S. Chandola, K. Hinrichs, M. Gensch, N. Esser, K. Fleischer, and J. F. McGilp. “Optical Anisotropy of Si(111)-(4 × 1)/(8 × 2)-In Nanowires Calculated Fromfirst-Principles.” Physica Status Solidi (C) 7, no. 2 (2010): 133–36. https://doi.org/10.1002/pssc.200982413.
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| DOI
2010 | Journal Article | LibreCat-ID: 13826
Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization.” The Journal of Physical Chemistry Letters 1 (2010): 3266–70. https://doi.org/10.1021/jz101389u.
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| DOI
2010 | Journal Article | LibreCat-ID: 13827
Wippermann, S., and Wolf Gero Schmidt. “Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array.” Physical Review Letters 105, no. 12 (2010). https://doi.org/10.1103/physrevlett.105.126102.
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| DOI
2010 | Journal Article | LibreCat-ID: 13829
Krivosheeva, A.V., S. Sanna, and Wolf Gero Schmidt. “First-Principles Investigation of CO Adsorption on Pt/Ge(001)-(4×2).” Computational Materials Science 49, no. 4 (2010): 895–98. https://doi.org/10.1016/j.commatsci.2010.06.043.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13830
Rauls, E., J. Wiebe, and Wolf Gero Schmidt. “Understanding the Cubic AlN Growth Plane from First Principles.” Journal of Crystal Growth 312 (2010): 2892–95. https://doi.org/10.1016/j.jcrysgro.2010.07.027.
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| DOI
2010 | Journal Article | LibreCat-ID: 13832
Thierfelder, C., and Wolf Gero Schmidt. “First-Principles Study of Water Adsorption and a High-Density Interfacial Ice Structure on(1×1)-O/Rh(111).” Physical Review B 82, no. 11 (2010). https://doi.org/10.1103/physrevb.82.115402.
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| DOI
2010 | Journal Article | LibreCat-ID: 13833
Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut Surfaces Fromab Initiotheory.” Physical Review B 81, no. 21 (2010). https://doi.org/10.1103/physrevb.81.214116.
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| DOI
2010 | Journal Article | LibreCat-ID: 13834
Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation Calculated from First-Principles.” Applied Surface Science 256 (2010): 5740–43. https://doi.org/10.1016/j.apsusc.2010.03.098.
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| DOI
2010 | Journal Article | LibreCat-ID: 13836
Rauls, E., S. Blankenburg, and Wolf Gero Schmidt. “Chemical Reactivity on Surfaces: Modeling the Imide Synthesis from DATP and PTCDA on Au(111).” Physical Review B 81, no. 12 (2010). https://doi.org/10.1103/physrevb.81.125401.
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