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347 Publications
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: 13569
Favero, P.P., A.C. Ferraz, Wolf Gero Schmidt, and R. Miotto. “Driving Forces for the Adsorption of Cyclopentene on InP(001).” Surface Science 605 (2011): 824–30. https://doi.org/10.1016/j.susc.2011.01.027.
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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: 13824
Zirkelbach, F., B. Stritzker, K. Nordlund, J. K. N. Lindner, Wolf Gero Schmidt, and E. Rauls. “Combined Ab Initio and Classical Potential Simulation Study on Silicon Carbide Precipitation in Silicon.” Physical Review B 84, no. 6 (2011). https://doi.org/10.1103/physrevb.84.064126.
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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: 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: 13656
Bihler, C., Uwe Gerstmann, M. Hoeb, T. Graf, M. Gjukic, Wolf Gero Schmidt, M. Stutzmann, and M. S. Brandt. “Manganese-Hydrogen Complexes InGa1−xMnxN.” Physical Review B 80, no. 20 (2010). https://doi.org/10.1103/physrevb.80.205205.
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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: 13828
Zirkelbach, F., B. Stritzker, K. Nordlund, J. K. N. Lindner, Wolf Gero Schmidt, and E. Rauls. “Defects in Carbon Implanted Silicon Calculated by Classical Potentials and First-Principles Methods.” Physical Review B 82, no. 9 (2010). https://doi.org/10.1103/physrevb.82.094110.
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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.
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| 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: 13831
Speiser, E., S. Chandola, K. Hinrichs, M. Gensch, C. Cobet, S. Wippermann, Wolf Gero Schmidt, et al. “Metal-Insulator Transition in Si(111)-(4 × 1)/(8 × 2)-In Studied by Optical Spectroscopy.” Physica Status Solidi (B) 247, no. 8 (2010): 2033–39. https://doi.org/10.1002/pssb.200983961.
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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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