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.”https://doi.org/10.1103/physrevb.83.195301__Physical Review B 83, no. 19 (2011).https://doi.org/10.1103/physrevb.83.195301 .
LibreCat: /record/13568
DOI: 10.1103/physrevb.83.195301

Favero, P.P., A.C. Ferraz, Wolf Gero Schmidt, and R. Miotto. “Driving Forces for the Adsorption of Cyclopentene on InP(001).”https://doi.org/10.1016/j.susc.2011.01.027__Surface Science 605 (2011): 824–30.https://doi.org/10.1016/j.susc.2011.01.027 .
LibreCat: /record/13569
DOI: 10.1016/j.susc.2011.01.027

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).”https://doi.org/10.1103/physrevb.83.165416__Physical Review B 83, no. 16 (2011).https://doi.org/10.1103/physrevb.83.165416 .
LibreCat: /record/13570
DOI: 10.1103/physrevb.83.165416

Thierfelder, C., M. Witte, S. Blankenburg, E. Rauls, and Wolf Gero Schmidt. “Methane Adsorption on Graphene from First Principles Including Dispersion Interaction.”https://doi.org/10.1016/j.susc.2011.01.012__Surface Science 605 (2011): 746–49.https://doi.org/10.1016/j.susc.2011.01.012 .
LibreCat: /record/13571
DOI: 10.1016/j.susc.2011.01.012

Sanna, S., G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and Wolf Gero Schmidt. “Vibrational Properties of the LiNbO3 Z-Surfaces.”https://doi.org/10.1109/tuffc.2011.2012__IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control 58, no. 9 (2011): 1751–56.https://doi.org/10.1109/tuffc.2011.2012 .
LibreCat: /record/13823
DOI: 10.1109/tuffc.2011.2012

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.”https://doi.org/10.1103/physrevb.84.064126__Physical Review B 84, no. 6 (2011).https://doi.org/10.1103/physrevb.84.064126 .
LibreCat: /record/13824
DOI: 10.1103/physrevb.84.064126

Sanna, S., C. Thierfelder, S. Wippermann, T. P. Sinha, and Wolf Gero Schmidt. “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.”https://doi.org/10.1103/physrevb.83.054112__Physical Review B 83, no. 5 (2011).https://doi.org/10.1103/physrevb.83.054112 .
LibreCat: /record/13825
DOI: 10.1103/physrevb.83.054112

Sanna, S., Gerhard Berth, W. Hahn, A. Widhalm, Artur Zrenner, and Wolf Gero Schmidt. “Localised Phonon Modes at LiNbO3(0001) Surfaces.”https://doi.org/10.1080/00150193.2011.594396__Ferroelectrics 419, no. 1 (2011): 1–8.https://doi.org/10.1080/00150193.2011.594396 .
LibreCat: /record/4543
DOI: 10.1080/00150193.2011.594396

Thierfelder, Christian, Simone Sanna, Arno Schindlmayr, and Wolf Gero Schmidt. “Do We Know the Band Gap of Lithium Niobate?”https://doi.org/10.1002/pssc.200982473__Physica Status Solidi C 7, no. 2 (2010): 362–65.https://doi.org/10.1002/pssc.200982473 .
LibreCat: /record/13573
DOI: 10.1002/pssc.200982473
WoS: 000284313000057

Gerstmann, Uwe, M. Rohrmüller, F. Mauri, and Wolf Gero Schmidt. “Ab Initiog-Tensor Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.”https://doi.org/10.1002/pssc.200982462__Physica Status Solidi (C) 7, no. 2 (2010): 157–60.https://doi.org/10.1002/pssc.200982462 .
LibreCat: /record/13574
DOI: 10.1002/pssc.200982462

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.”https://doi.org/10.1002/pssc.200982413__Physica Status Solidi (C) 7, no. 2 (2010): 133–36.https://doi.org/10.1002/pssc.200982413 .
LibreCat: /record/13581
DOI: 10.1002/pssc.200982413

Bihler, C., Uwe Gerstmann, M. Hoeb, T. Graf, M. Gjukic, Wolf Gero Schmidt, M. Stutzmann, and M. S. Brandt. “Manganese-Hydrogen Complexes InGxMnxN.”https://doi.org/10.1103/physrevb.80.205205__Physical Review B 80, no. 20 (2010).https://doi.org/10.1103/physrevb.80.205205 .
LibreCat: /record/13656
DOI: 10.1103/physrevb.80.205205

Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization.”https://doi.org/10.1021/jz101389u__The Journal of Physical Chemistry Letters 1 (2010): 3266–70.https://doi.org/10.1021/jz101389u .
LibreCat: /record/13826
DOI: 10.1021/jz101389u

Wippermann, S., and Wolf Gero Schmidt. “Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array.”https://doi.org/10.1103/physrevlett.105.126102__Physical Review Letters 105, no. 12 (2010).https://doi.org/10.1103/physrevlett.105.126102 .
LibreCat: /record/13827
DOI: 10.1103/physrevlett.105.126102

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.”https://doi.org/10.1103/physrevb.82.094110__Physical Review B 82, no. 9 (2010).https://doi.org/10.1103/physrevb.82.094110 .
LibreCat: /record/13828
DOI: 10.1103/physrevb.82.094110

Krivosheeva, A.V., S. Sanna, and Wolf Gero Schmidt. “First-Principles Investigation of CO Adsorption on Pt/Ge(001)-(4×2).”https://doi.org/10.1016/j.commatsci.2010.06.043__Computational Materials Science 49, no. 4 (2010): 895–98.https://doi.org/10.1016/j.commatsci.2010.06.043 .
LibreCat: /record/13829
DOI: 10.1016/j.commatsci.2010.06.043

Rauls, E., J. Wiebe, and Wolf Gero Schmidt. “Understanding the Cubic AlN Growth Plane from First Principles.”https://doi.org/10.1016/j.jcrysgro.2010.07.027__Journal of Crystal Growth 312 (2010): 2892–95.https://doi.org/10.1016/j.jcrysgro.2010.07.027 .
LibreCat: /record/13830
DOI: 10.1016/j.jcrysgro.2010.07.027

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.”https://doi.org/10.1002/pssb.200983961__Physica Status Solidi (B) 247, no. 8 (2010): 2033–39.https://doi.org/10.1002/pssb.200983961 .
LibreCat: /record/13831
DOI: 10.1002/pssb.200983961

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).”https://doi.org/10.1103/physrevb.82.115402__Physical Review B 82, no. 11 (2010).https://doi.org/10.1103/physrevb.82.115402 .
LibreCat: /record/13832
DOI: 10.1103/physrevb.82.115402

Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut Surfaces Fromab Initiotheory.”https://doi.org/10.1103/physrevb.81.214116__Physical Review B 81, no. 21 (2010).https://doi.org/10.1103/physrevb.81.214116 .
LibreCat: /record/13833
DOI: 10.1103/physrevb.81.214116