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347 Publications
2010 | Journal Article | LibreCat-ID: 13581
Wippermann, S., Schmidt, W. G., Bechstedt, F., Chandola, S., Hinrichs, K., Gensch, M., … McGilp, J. F. (2010). Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles. Physica Status Solidi (C), 7(2), 133–136. https://doi.org/10.1002/pssc.200982413
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2010 | Journal Article | LibreCat-ID: 13656
Bihler, C., Gerstmann, U., Hoeb, M., Graf, T., Gjukic, M., Schmidt, W. G., … Brandt, M. S. (2010). Manganese-hydrogen complexes inGa1−xMnxN. Physical Review B, 80(20). https://doi.org/10.1103/physrevb.80.205205
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2010 | Journal Article | LibreCat-ID: 13826
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2010). Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization. The Journal of Physical Chemistry Letters, 1, 3266–3270. https://doi.org/10.1021/jz101389u
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2010 | Journal Article | LibreCat-ID: 13827
Wippermann, S., & Schmidt, W. G. (2010). Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array. Physical Review Letters, 105(12). https://doi.org/10.1103/physrevlett.105.126102
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2010 | Journal Article | LibreCat-ID: 13828
Zirkelbach, F., Stritzker, B., Nordlund, K., Lindner, J. K. N., Schmidt, W. G., & Rauls, E. (2010). Defects in carbon implanted silicon calculated by classical potentials and first-principles methods. Physical Review B, 82(9). https://doi.org/10.1103/physrevb.82.094110
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2010 | Journal Article | LibreCat-ID: 13829
Krivosheeva, A. V., Sanna, S., & Schmidt, W. G. (2010). First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2). Computational Materials Science, 49(4), 895–898. https://doi.org/10.1016/j.commatsci.2010.06.043
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2010 | Journal Article | LibreCat-ID: 13830
Rauls, E., Wiebe, J., & Schmidt, W. G. (2010). Understanding the cubic AlN growth plane from first principles. Journal of Crystal Growth, 312, 2892–2895. https://doi.org/10.1016/j.jcrysgro.2010.07.027
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2010 | Journal Article | LibreCat-ID: 13831
Speiser, E., Chandola, S., Hinrichs, K., Gensch, M., Cobet, C., Wippermann, S., … Esser, N. (2010). Metal-insulator transition in Si(111)-(4 × 1)/(8 × 2)-In studied by optical spectroscopy. Physica Status Solidi (B), 247(8), 2033–2039. https://doi.org/10.1002/pssb.200983961
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2010 | Journal Article | LibreCat-ID: 13832
Thierfelder, C., & Schmidt, W. G. (2010). First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111). Physical Review B, 82(11). https://doi.org/10.1103/physrevb.82.115402
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2010 | Journal Article | LibreCat-ID: 13833
Sanna, S., & Schmidt, W. G. (2010). Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory. Physical Review B, 81(21). https://doi.org/10.1103/physrevb.81.214116
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2010 | Journal Article | LibreCat-ID: 13834
Sanna, S., & Schmidt, W. G. (2010). GaN/LiNbO3 (0001) interface formation calculated from first-principles. Applied Surface Science, 256, 5740–5743. https://doi.org/10.1016/j.apsusc.2010.03.098
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2010 | Journal Article | LibreCat-ID: 13835
Scholle, A., Greulich-Weber, S., As, D. J., Mietze, C., Son, N. T., Hemmingsson, C., … Schmidt, W. G. (2010). Magnetic characterization of conductance electrons in GaN. Physica Status Solidi (B), 247(7), 1728–1731. https://doi.org/10.1002/pssb.200983582
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2010 | Journal Article | LibreCat-ID: 13836
Rauls, E., Blankenburg, S., & Schmidt, W. G. (2010). Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111). Physical Review B, 81(12). https://doi.org/10.1103/physrevb.81.125401
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2010 | Journal Article | LibreCat-ID: 13837
Scholle, A., Greulich-Weber, S., Rauls, E., Schmidt, W. G., & Gerstmann, U. (2010). Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC. Materials Science Forum, 645–648, 403–406. https://doi.org/10.4028/www.scientific.net/msf.645-648.403
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2010 | Journal Article | LibreCat-ID: 13838
Sanna, S., & Schmidt, W. G. (2010). GaN growth on LiNbO3 (0001) - a first-principles simulation. Physica Status Solidi (C), 7(7–8), 2272–2274. https://doi.org/10.1002/pssc.200983649
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2010 | Journal Article | LibreCat-ID: 13839
Blankenburg, S., & Schmidt, W. G. (2010). Temperature dependent stability of self-assembled molecular rows. Physica Status Solidi (C), 7(2), 415–417. https://doi.org/10.1002/pssc.200982460
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2010 | Journal Article | LibreCat-ID: 13841
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2010). The physics of highly ordered molecular rows. Physica Status Solidi (C), 7(2), 153–156. https://doi.org/10.1002/pssc.200982459
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2010 | Journal Article | LibreCat-ID: 13842
Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2010). Ab initio investigation of the LiNbO3(0001) surface. Physica Status Solidi (C), 7(2), 145–148. https://doi.org/10.1002/pssc.200982456
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2010 | Journal Article | LibreCat-ID: 13843
Wippermann, S., Schmidt, W. G., Thissen, P., & Grundmeier, G. (2010). Dissociative and molecular adsorption of water onα-Al2O3(0001). Physica Status Solidi (C), 7(2), 137–140. https://doi.org/10.1002/pssc.200982423
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2009 | Journal Article | LibreCat-ID: 13576
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2009). The physics of highly ordered molecular rows. Physica Status Solidi (C), 153–156. https://doi.org/10.1002/pssc.200982459
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2009 | Journal Article | LibreCat-ID: 13577
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2009). The physics of highly ordered molecular rows. Physica Status Solidi (C), 7(2), 153–156. https://doi.org/10.1002/pssc.200982459
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2009 | Journal Article | LibreCat-ID: 13578
Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2009). Ab initioinvestigation of the LiNbO3(0001) surface. Physica Status Solidi (C), 145–148. https://doi.org/10.1002/pssc.200982456
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2009 | Journal Article | LibreCat-ID: 13579
Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2009). Ab initioinvestigation of the LiNbO3(0001) surface. Physica Status Solidi (C), 7(2), 145–148. https://doi.org/10.1002/pssc.200982456
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2009 | Journal Article | LibreCat-ID: 13580
Wippermann, S., Schmidt, W. G., Thissen, P., & Grundmeier, G. (2009). Dissociative and molecular adsorption of water onα-Al2O3(0001). Physica Status Solidi (C), 7(2), 137–140. https://doi.org/10.1002/pssc.200982423
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2009 | Journal Article | LibreCat-ID: 13583
Scholle, A., Greulich-Weber, S., Rauls, E., Schmidt, W. G., & Gerstmann, U. (2009). Vacancy clusters created via room temperature irradiation in 6H-SiC. Physica B: Condensed Matter, 404, 4742–4744. https://doi.org/10.1016/j.physb.2009.08.123
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2009 | Journal Article | LibreCat-ID: 13655
Thissen, P., Grundmeier, G., Wippermann, S., & Schmidt, W. G. (2009). Water adsorption on the α-Al2O3(0001) surface. Physical Review B, 80(24). https://doi.org/10.1103/physrevb.80.245403
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2009 | Journal Article | LibreCat-ID: 13657
Sanna, S., Schmidt, W. G., Frauenheim, T., & Gerstmann, U. (2009). Rare-earth defect pairs in GaN: LDA+U calculations. Physical Review B, 80(10). https://doi.org/10.1103/physrevb.80.104120
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2009 | Journal Article | LibreCat-ID: 13658
Passmann, R., Favero, P., Schmidt, W. G., Miotto, R., Braun, W., Richter, W., … Vogt, P. (2009). Adsorption structure of cyclopentene on InP(001)(2×4). Physical Review B, 80(12). https://doi.org/10.1103/physrevb.80.125303
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2009 | Journal Article | LibreCat-ID: 13659
Blankenburg, S., Rauls, E., & Schmidt, W. G. (2009). Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures. The Journal of Physical Chemistry C, 113, 12653–12657. https://doi.org/10.1021/jp902337p
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2009 | Journal Article | LibreCat-ID: 13660
Chandola, S., Hinrichs, K., Gensch, M., Esser, N., Wippermann, S., Schmidt, W. G., … McGilp, J. F. (2009). Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response. Physical Review Letters, 102(22). https://doi.org/10.1103/physrevlett.102.226805
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2009 | Journal Article | LibreCat-ID: 13661
Landmann, M., Rauls, E., & Schmidt, W. G. (2009). Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles. The Journal of Physical Chemistry C, 113, 5690–5699. https://doi.org/10.1021/jp810581s
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2009 | Journal Article | LibreCat-ID: 13662
Blankenburg, S., & Schmidt, W. G. (2009). Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions. Journal of Physics: Condensed Matter, 21. https://doi.org/10.1088/0953-8984/21/18/185001
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2009 | Journal Article | LibreCat-ID: 13664
Lange, B., Posner, R., Pohl, K., Thierfelder, C., Grundmeier, G., Blankenburg, S., & Schmidt, W. G. (2009). Water adsorption on hydrogenated Si(111) surfaces. Surface Science, 603, 60–64. https://doi.org/10.1016/j.susc.2008.10.030
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2009 | Journal Article | LibreCat-ID: 13665
Landmann, M., Rauls, E., & Schmidt, W. G. (2009). First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen. Physical Review B, 79(4). https://doi.org/10.1103/physrevb.79.045412
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2009 | Journal Article | LibreCat-ID: 13802
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., … Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter, 21(39). https://doi.org/10.1088/0953-8984/21/39/395502
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2009 | Journal Article | LibreCat-ID: 13844
Savchenko, D. V., Pöppl, A., Kalabukhova, E. N., Greulich-Weber, S., Rauls, E., Schmidt, W. G., & Gerstmann, U. (2009). Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC. Materials Science Forum, 615–617, 343–346. https://doi.org/10.4028/www.scientific.net/msf.615-617.343
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2008 | Journal Article | LibreCat-ID: 13663
Wippermann, S., & Schmidt, W. G. (2008). Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array. Surface Science, 603, 247–250. https://doi.org/10.1016/j.susc.2008.11.013
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2008 | Journal Article | LibreCat-ID: 13666
Wippermann, S., & Schmidt, W. G. (2008). Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles. Physical Review B, 78(23). https://doi.org/10.1103/physrevb.78.235439
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2008 | Journal Article | LibreCat-ID: 13667
Blankenburg, S., & Schmidt, W. G. (2008). Spatial modulation of molecular adsorption energies due to indirect interaction. Physical Review B, 78. https://doi.org/10.1103/physrevb.78.233411
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2008 | Journal Article | LibreCat-ID: 13668
Rauls, E., & Schmidt, W. G. (2008). Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110). Journal of Physical Chemistry C, 112, 11490–11494. https://doi.org/10.1021/jp8037297
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2008 | Journal Article | LibreCat-ID: 13669
Rauls, E., Dijkstra, S. J., & Schmidt, W. G. (2008). Atomic structure and energetics of thec-GaN(001) surface. Physical Review B, 78(11). https://doi.org/10.1103/physrevb.78.113302
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2008 | Journal Article | LibreCat-ID: 13670
Rauls, E., Blankenburg, S., & Schmidt, W. G. (2008). DFT calculations of adenine adsorption on coin metal (110) surfaces. Surface Science, 602, 2170–2174. https://doi.org/10.1016/j.susc.2008.04.029
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2008 | Journal Article | LibreCat-ID: 13671
Hermann, A., Schmidt, W. G., & Schwerdtfeger, P. (2008). Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects. Physical Review Letters, 100(20). https://doi.org/10.1103/physrevlett.100.207403
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2008 | Journal Article | LibreCat-ID: 13672
Hermann, A., Schwerdtfeger, P., & Schmidt, W. G. (2008). Theoretical study of the localization of excess electrons at the surface of ice. Journal of Physics: Condensed Matter, 20. https://doi.org/10.1088/0953-8984/20/22/225003
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2008 | Journal Article | LibreCat-ID: 13673
Rakel, M., Cobet, C., Esser, N., Fuchs, F., Bechstedt, F., Goldhahn, R., … Schaff, W. (2008). GaN and InN conduction-band states studied by ellipsometry. Physical Review B, 77(11). https://doi.org/10.1103/physrevb.77.115120
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2008 | Journal Article | LibreCat-ID: 13674
Wippermann, S., Koch, N., & Schmidt, W. G. (2008). Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects. Physical Review Letters, 100(10). https://doi.org/10.1103/physrevlett.100.106802
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2008 | Journal Article | LibreCat-ID: 13675
Lange, B., & Schmidt, W. G. (2008). Ammonia adsorption on Cl/Si(001): First-principles calculations. Surface Science, 602, 1207–1211. https://doi.org/10.1016/j.susc.2008.01.024
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2008 | Journal Article | LibreCat-ID: 13676
Schmidt, W. G., Albrecht, M., Wippermann, S., Blankenburg, S., Rauls, E., Fuchs, F., … Hermann, A. (2008). LiNbO3ground- and excited-state properties from first-principles calculations. Physical Review B, 77. https://doi.org/10.1103/physrevb.77.035106
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2008 | Journal Article | LibreCat-ID: 23484
Golde, D., Meier, T., & Koch, S. W. (2008). High harmonics generated in semiconductor nanostructures by the coupled dynamics of optical inter- and intraband excitations. Physical Review B, 77(7), Article 075330. https://doi.org/10.1103/physrevb.77.075330
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2007 | Journal Article | LibreCat-ID: 13677
Thierfelder, C., & Schmidt, W. G. (2007). Ethanol adsorbed on ice: A first-principles study. Physical Review B, 76(19). https://doi.org/10.1103/physrevb.76.195426
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