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177 Publications
2010 | Journal Article | LibreCat-ID: 13832
C. Thierfelder and W. G. Schmidt, “First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111),” Physical Review B, vol. 82, no. 11, 2010, doi: 10.1103/physrevb.82.115402.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13828
F. Zirkelbach, B. Stritzker, K. Nordlund, J. K. N. Lindner, W. G. Schmidt, and E. Rauls, “Defects in carbon implanted silicon calculated by classical potentials and first-principles methods,” Physical Review B, vol. 82, no. 9, 2010, doi: 10.1103/physrevb.82.094110.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13833
S. Sanna and W. G. Schmidt, “Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory,” Physical Review B, vol. 81, no. 21, 2010, doi: 10.1103/physrevb.81.214116.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 15846
S. Schumacher, I. Galbraith, A. Ruseckas, G. A. Turnbull, and I. 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, doi: 10.1103/physrevb.81.245407.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 4177
I. Kuznetsova et al., “Modeling excitonic line shapes in weakly disordered semiconductor nanostructures,” Physical Review B, vol. 81, no. 7, Art. no. 075307, 2010, doi: 10.1103/physrevb.81.075307.
LibreCat
| Files available
| DOI
2009 | Journal Article | LibreCat-ID: 13665
M. Landmann, E. Rauls, and W. G. Schmidt, “First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen,” Physical Review B, vol. 79, no. 4, 2009, doi: 10.1103/physrevb.79.045412.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13658
R. Passmann et al., “Adsorption structure of cyclopentene on InP(001)(2×4),” Physical Review B, vol. 80, no. 12, 2009, doi: 10.1103/physrevb.80.125303.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13657
S. Sanna, W. G. Schmidt, Th. Frauenheim, and U. Gerstmann, “Rare-earth defect pairs in GaN: LDA+U calculations,” Physical Review B, vol. 80, no. 10, 2009, doi: 10.1103/physrevb.80.104120.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13655
P. Thissen, G. Grundmeier, S. Wippermann, and W. G. Schmidt, “Water adsorption on the α-Al2O3(0001) surface,” Physical Review B, vol. 80, no. 24, 2009, doi: 10.1103/physrevb.80.245403.
LibreCat
| DOI