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347 Publications


2011 | Journal Article | LibreCat-ID: 13568
C. Mietze et al., “Band offsets in cubic GaN/AlN superlattices,” Physical Review B, vol. 83, no. 19, 2011.
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2011 | Journal Article | LibreCat-ID: 13569
P. P. Favero, A. C. Ferraz, W. G. Schmidt, and R. Miotto, “Driving forces for the adsorption of cyclopentene on InP(001),” Surface Science, vol. 605, pp. 824–830, 2011.
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2011 | Journal Article | LibreCat-ID: 13570
S. Müllegger et al., “Asymmetric saddling of single porphyrin molecules on Au(111),” Physical Review B, vol. 83, no. 16, 2011.
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2011 | Journal Article | LibreCat-ID: 13571
C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, and W. G. Schmidt, “Methane adsorption on graphene from first principles including dispersion interaction,” Surface Science, vol. 605, pp. 746–749, 2011.
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2011 | Journal Article | LibreCat-ID: 13823
S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and W. G. Schmidt, “Vibrational properties of the LiNbO3 z-surfaces,” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, vol. 58, no. 9, pp. 1751–1756, 2011.
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2011 | Journal Article | LibreCat-ID: 13824
F. Zirkelbach, B. Stritzker, K. Nordlund, J. K. N. Lindner, W. G. Schmidt, and E. Rauls, “Combined ab initio and classical potential simulation study on silicon carbide precipitation in silicon,” Physical Review B, vol. 84, no. 6, 2011.
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2011 | Journal Article | LibreCat-ID: 13825
S. Sanna, C. Thierfelder, S. Wippermann, T. P. Sinha, and W. G. Schmidt, “Barium titanate ground- and excited-state properties from first-principles calculations,” Physical Review B, vol. 83, no. 5, 2011.
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2011 | Journal Article | LibreCat-ID: 4543
S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and W. G. Schmidt, “Localised Phonon Modes at LiNbO3(0001) Surfaces,” Ferroelectrics, vol. 419, no. 1, pp. 1–8, 2011, doi: 10.1080/00150193.2011.594396.
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2010 | Journal Article | LibreCat-ID: 13573
C. Thierfelder, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Do we know the band gap of lithium niobate?,” Physica Status Solidi C, vol. 7, no. 2, pp. 362–365, 2010.
LibreCat | Files available | DOI | WoS
 

2010 | Journal Article | LibreCat-ID: 13574
U. Gerstmann, M. Rohrmüller, F. Mauri, and W. G. Schmidt, “Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces,” physica status solidi (c), vol. 7, no. 2, pp. 157–160, 2010.
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2010 | Journal Article | LibreCat-ID: 13581
S. Wippermann et al., “Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles,” physica status solidi (c), vol. 7, no. 2, pp. 133–136, 2010.
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2010 | Journal Article | LibreCat-ID: 13656
C. Bihler et al., “Manganese-hydrogen complexes inGa1−xMnxN,” Physical Review B, vol. 80, no. 20, 2010.
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2010 | Journal Article | LibreCat-ID: 13826
S. Blankenburg, E. Rauls, and W. G. Schmidt, “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization,” The Journal of Physical Chemistry Letters, vol. 1, pp. 3266–3270, 2010.
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2010 | Journal Article | LibreCat-ID: 13827
S. Wippermann and W. G. Schmidt, “Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array,” Physical Review Letters, vol. 105, no. 12, 2010.
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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.
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2010 | Journal Article | LibreCat-ID: 13829
A. V. Krivosheeva, S. Sanna, and W. G. Schmidt, “First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2),” Computational Materials Science, vol. 49, no. 4, pp. 895–898, 2010.
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2010 | Journal Article | LibreCat-ID: 13830
E. Rauls, J. Wiebe, and W. G. Schmidt, “Understanding the cubic AlN growth plane from first principles,” Journal of Crystal Growth, vol. 312, pp. 2892–2895, 2010.
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2010 | Journal Article | LibreCat-ID: 13831
E. Speiser et al., “Metal-insulator transition in Si(111)-(4 × 1)/(8 × 2)-In studied by optical spectroscopy,” physica status solidi (b), vol. 247, no. 8, pp. 2033–2039, 2010.
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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.
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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.
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2010 | Journal Article | LibreCat-ID: 13834
S. Sanna and W. G. Schmidt, “GaN/LiNbO3 (0001) interface formation calculated from first-principles,” Applied Surface Science, vol. 256, pp. 5740–5743, 2010.
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2010 | Journal Article | LibreCat-ID: 13835
A. Scholle et al., “Magnetic characterization of conductance electrons in GaN,” physica status solidi (b), vol. 247, no. 7, pp. 1728–1731, 2010.
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2010 | Journal Article | LibreCat-ID: 13836
E. Rauls, S. Blankenburg, and W. G. Schmidt, “Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111),” Physical Review B, vol. 81, no. 12, 2010.
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2010 | Journal Article | LibreCat-ID: 13837
A. Scholle, S. Greulich-Weber, E. Rauls, W. G. Schmidt, and U. Gerstmann, “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC,” Materials Science Forum, vol. 645–648, pp. 403–406, 2010.
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2010 | Journal Article | LibreCat-ID: 13838
S. Sanna and W. G. Schmidt, “GaN growth on LiNbO3 (0001) - a first-principles simulation,” physica status solidi (c), vol. 7, no. 7–8, pp. 2272–2274, 2010.
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2010 | Journal Article | LibreCat-ID: 13839
S. Blankenburg and W. G. Schmidt, “Temperature dependent stability of self-assembled molecular rows,” physica status solidi (c), vol. 7, no. 2, pp. 415–417, 2010.
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2010 | Journal Article | LibreCat-ID: 13841
S. Blankenburg, E. Rauls, and W. G. Schmidt, “The physics of highly ordered molecular rows,” physica status solidi (c), vol. 7, no. 2, pp. 153–156, 2010.
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2010 | Journal Article | LibreCat-ID: 13842
S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Ab initio investigation of the LiNbO3(0001) surface,” physica status solidi (c), vol. 7, no. 2, pp. 145–148, 2010.
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2010 | Journal Article | LibreCat-ID: 13843
S. Wippermann, W. G. Schmidt, P. Thissen, and G. Grundmeier, “Dissociative and molecular adsorption of water onα-Al2O3(0001),” physica status solidi (c), vol. 7, no. 2, pp. 137–140, 2010.
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2009 | Journal Article | LibreCat-ID: 13576
S. Blankenburg, E. Rauls, and W. G. Schmidt, “The physics of highly ordered molecular rows,” physica status solidi (c), pp. 153–156, 2009.
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2009 | Journal Article | LibreCat-ID: 13577
S. Blankenburg, E. Rauls, and W. G. Schmidt, “The physics of highly ordered molecular rows,” physica status solidi (c), vol. 7, no. 2, pp. 153–156, 2009.
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2009 | Journal Article | LibreCat-ID: 13578
S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Ab initioinvestigation of the LiNbO3(0001) surface,” physica status solidi (c), pp. 145–148, 2009.
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2009 | Journal Article | LibreCat-ID: 13579
S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Ab initioinvestigation of the LiNbO3(0001) surface,” physica status solidi (c), vol. 7, no. 2, pp. 145–148, 2009.
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2009 | Journal Article | LibreCat-ID: 13580
S. Wippermann, W. G. Schmidt, P. Thissen, and G. Grundmeier, “Dissociative and molecular adsorption of water onα-Al2O3(0001),” physica status solidi (c), vol. 7, no. 2, pp. 137–140, 2009.
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2009 | Journal Article | LibreCat-ID: 13583
A. Scholle, S. Greulich-Weber, E. Rauls, W. G. Schmidt, and U. Gerstmann, “Vacancy clusters created via room temperature irradiation in 6H-SiC,” Physica B: Condensed Matter, vol. 404, pp. 4742–4744, 2009.
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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.
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2009 | Journal Article | LibreCat-ID: 13657
S. Sanna, W. G. Schmidt, T. Frauenheim, and U. Gerstmann, “Rare-earth defect pairs in GaN: LDA+U calculations,” Physical Review B, vol. 80, no. 10, 2009.
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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.
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2009 | Journal Article | LibreCat-ID: 13659
S. Blankenburg, E. Rauls, and W. G. Schmidt, “Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures,” The Journal of Physical Chemistry C, vol. 113, pp. 12653–12657, 2009.
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2009 | Journal Article | LibreCat-ID: 13660
S. Chandola et al., “Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response,” Physical Review Letters, vol. 102, no. 22, 2009.
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2009 | Journal Article | LibreCat-ID: 13661
M. Landmann, E. Rauls, and W. G. Schmidt, “Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles,” The Journal of Physical Chemistry C, vol. 113, pp. 5690–5699, 2009.
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2009 | Journal Article | LibreCat-ID: 13662
S. Blankenburg and W. G. Schmidt, “Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions,” Journal of Physics: Condensed Matter, vol. 21, 2009.
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2009 | Journal Article | LibreCat-ID: 13664
B. Lange et al., “Water adsorption on hydrogenated Si(111) surfaces,” Surface Science, vol. 603, pp. 60–64, 2009.
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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.
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2009 | Journal Article | LibreCat-ID: 13802
P. Giannozzi et al., “QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials,” Journal of Physics: Condensed Matter, vol. 21, no. 39, 2009.
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2009 | Journal Article | LibreCat-ID: 13844
D. V. Savchenko et al., “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC,” Materials Science Forum, vol. 615–617, pp. 343–346, 2009.
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2008 | Journal Article | LibreCat-ID: 13663
S. Wippermann and W. G. Schmidt, “Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array,” Surface Science, vol. 603, pp. 247–250, 2008.
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2008 | Journal Article | LibreCat-ID: 13666
S. Wippermann and W. G. Schmidt, “Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles,” Physical Review B, vol. 78, no. 23, 2008.
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2008 | Journal Article | LibreCat-ID: 13667
S. Blankenburg and W. G. Schmidt, “Spatial modulation of molecular adsorption energies due to indirect interaction,” Physical Review B, vol. 78, 2008.
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2008 | Journal Article | LibreCat-ID: 13668
E. Rauls and W. G. Schmidt, “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110),” Journal of Physical Chemistry C, vol. 112, pp. 11490–11494, 2008.
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2008 | Journal Article | LibreCat-ID: 13669
E. Rauls, S. J. Dijkstra, and W. G. Schmidt, “Atomic structure and energetics of thec-GaN(001) surface,” Physical Review B, vol. 78, no. 11, 2008.
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2008 | Journal Article | LibreCat-ID: 13670
E. Rauls, S. Blankenburg, and W. G. Schmidt, “DFT calculations of adenine adsorption on coin metal (110) surfaces,” Surface Science, vol. 602, pp. 2170–2174, 2008.
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2008 | Journal Article | LibreCat-ID: 13671
A. Hermann, W. G. Schmidt, and P. Schwerdtfeger, “Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects,” Physical Review Letters, vol. 100, no. 20, 2008.
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2008 | Journal Article | LibreCat-ID: 13672
A. Hermann, P. Schwerdtfeger, and W. G. Schmidt, “Theoretical study of the localization of excess electrons at the surface of ice,” Journal of Physics: Condensed Matter, vol. 20, 2008.
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2008 | Journal Article | LibreCat-ID: 13673
M. Rakel et al., “GaN and InN conduction-band states studied by ellipsometry,” Physical Review B, vol. 77, no. 11, 2008.
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2008 | Journal Article | LibreCat-ID: 13674
S. Wippermann, N. Koch, and W. G. Schmidt, “Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects,” Physical Review Letters, vol. 100, no. 10, 2008.
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2008 | Journal Article | LibreCat-ID: 13675
B. Lange and W. G. Schmidt, “Ammonia adsorption on Cl/Si(001): First-principles calculations,” Surface Science, vol. 602, pp. 1207–1211, 2008.
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2008 | Journal Article | LibreCat-ID: 13676
W. G. Schmidt et al., “LiNbO3ground- and excited-state properties from first-principles calculations,” Physical Review B, vol. 77, 2008.
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2008 | Journal Article | LibreCat-ID: 23484
D. Golde, T. Meier, and S. W. Koch, “High harmonics generated in semiconductor nanostructures by the coupled dynamics of optical inter- and intraband excitations,” Physical Review B, vol. 77, no. 7, Art. no. 075330, 2008, doi: 10.1103/physrevb.77.075330.
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2007 | Journal Article | LibreCat-ID: 13677
C. Thierfelder and W. G. Schmidt, “Ethanol adsorbed on ice: A first-principles study,” Physical Review B, vol. 76, no. 19, 2007.
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2007 | Journal Article | LibreCat-ID: 13678
S. Blankenburg and W. G. Schmidt, “Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer,” Physical Review Letters, vol. 99, no. 19, 2007.
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2007 | Journal Article | LibreCat-ID: 13680
S. Blankenburg and W. G. Schmidt, “Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110),” Nanotechnology, vol. 18, 2007.
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2007 | Journal Article | LibreCat-ID: 13681
S. Wippermann et al., “Quantum conductance of In nanowires on Si(111) from first principles calculations,” Surface Science, pp. 4045–4047, 2007.
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2007 | Journal Article | LibreCat-ID: 13682
J. Bernholc et al., “Atomic scale design of nanostructures,” Molecular Physics, pp. 147–156, 2007.
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2007 | Journal Article | LibreCat-ID: 13683
A. A. Stekolnikov et al., “Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance,” Physical Review Letters, vol. 98, no. 2, 2007.
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2006 | Journal Article | LibreCat-ID: 13684
T. Letzig, F. Willig, P. H. Hahn, and W. G. Schmidt, “Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface,” Physical Review B, vol. 74, no. 24, 2006.
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2006 | Journal Article | LibreCat-ID: 13685
M. Preuss, F. Bechstedt, W. G. Schmidt, J. Sochos, B. Schröter, and W. Richter, “Clean and pyrrole-functionalized Si- and C-terminated SiC surfaces: First-principles calculations of geometry and energetics compared with LEED and XPS,” Physical Review B, vol. 74, no. 23, 2006.
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2006 | Journal Article | LibreCat-ID: 13686
W. G. Schmidt, K. Seino, M. Preuss, A. Hermann, F. Ortmann, and F. Bechstedt, “Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction,” Applied Physics A, vol. 85, pp. 387–397, 2006.
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2006 | Journal Article | LibreCat-ID: 13688
S. Blankenburg and W. G. Schmidt, “Adsorption of phenylglycine on copper: Density functional calculations,” Physical Review B, vol. 74, no. 15, 2006.
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2006 | Journal Article | LibreCat-ID: 13689
M. Preuss, R. Miotto, F. Bechstedt, T. Rada, N. V. Richardson, and W. G. Schmidt, “Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS,” Physical Review B, vol. 74, no. 11, 2006.
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2006 | Journal Article | LibreCat-ID: 13690
C. Thierfelder, A. Hermann, P. Schwerdtfeger, and W. G. Schmidt, “Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations,” Physical Review B, vol. 74, no. 4, 2006.
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2006 | Journal Article | LibreCat-ID: 13691
S. Biering, A. Hermann, and W. G. Schmidt, “Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions,” Physical Review B, vol. 73, no. 23, 2006.
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2006 | Journal Article | LibreCat-ID: 13692
W. G. Schmidt, A. Hermann, F. Fuchs, and F. Bechstedt, “Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation,” Current Applied Physics, vol. 6, pp. 525–530, 2006.
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2006 | Journal Article | LibreCat-ID: 13693
W. G. Schmidt and K. Seino, “Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping,” Current Applied Physics, vol. 6, pp. 331–333, 2006.
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2006 | Journal Article | LibreCat-ID: 13694
K. Seino, W. G. Schmidt, and A. Ohtake, “Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions,” Physical Review B, vol. 73, no. 3, 2006.
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2006 | Journal Article | LibreCat-ID: 13695
P. H. Hahn, W. G. Schmidt, and F. Bechstedt, “Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics,” Physical Review B, vol. 72, no. 24, 2006.
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2006 | Journal Article | LibreCat-ID: 13845
F. Ortmann, F. Bechstedt, and W. G. Schmidt, “Semiempirical van der Waals correction to the density functional description of solids and molecular structures,” Physical Review B, vol. 73, no. 20, 2006.
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2005 | Journal Article | LibreCat-ID: 13696
F. Bechstedt, K. Seino, P. H. Hahn, and W. G. Schmidt, “Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl,” Physical Review B, vol. 72, no. 24, 2005.
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2005 | Journal Article | LibreCat-ID: 13697
F. Ortmann, W. G. Schmidt, and F. Bechstedt, “Attracted by Long-Range Electron Correlation: Adenine on Graphite,” Physical Review Letters, vol. 95, no. 18, 2005.
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2005 | Journal Article | LibreCat-ID: 13698
W. G. Schmidt, “Calculation of reflectance anisotropy for semiconductor surface exploration,” physica status solidi (b), vol. 242, no. 13, pp. 2751–2764, 2005.
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2005 | Journal Article | LibreCat-ID: 13699
P. H. Hahn, K. Seino, W. G. Schmidt, J. Furthmüller, and F. Bechstedt, “Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN,” physica status solidi (b), vol. 242, no. 13, pp. 2720–2728, 2005.
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2005 | Journal Article | LibreCat-ID: 13700
N. Esser, M. Rakel, C. Cobet, W. G. Schmidt, W. Braun, and M. Cardona, “VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations,” physica status solidi (b), vol. 242, no. 13, pp. 2601–2609, 2005.
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2005 | Journal Article | LibreCat-ID: 13701
F. Fuchs, W. G. Schmidt, and F. Bechstedt, “Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations,” The Journal of Physical Chemistry B, vol. 109, pp. 17649–17653, 2005.
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2005 | Journal Article | LibreCat-ID: 13702
F. Fuchs, W. G. Schmidt, and F. Bechstedt, “Understanding the optical anisotropy of oxidized Si(001) surfaces,” Physical Review B, vol. 72, no. 7, 2005.
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2005 | Journal Article | LibreCat-ID: 13703
M. Preuss, W. G. Schmidt, and F. Bechstedt, “Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110),” Physical Review Letters, vol. 94, 2005.
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2005 | Journal Article | LibreCat-ID: 13704
K. Seino and W. G. Schmidt, “Conformation-selective adsorption of 2,3-butanediol on Si(001),” Surface Science, pp. 191–196, 2005.
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2005 | Journal Article | LibreCat-ID: 13705
R. Leitsmann, W. G. Schmidt, P. H. Hahn, and F. Bechstedt, “Second-harmonic polarizability including electron-hole attraction from band-structure theory,” Physical Review B, vol. 71, 2005.
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2005 | Journal Article | LibreCat-ID: 13706
A. Hermann, W. G. Schmidt, and F. Bechstedt, “Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study,” Physical Review B, vol. 71, 2005.
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2005 | Journal Article | LibreCat-ID: 13707
A. Hermann, W. G. Schmidt, and F. Bechstedt, “Phenanthrenequinone Adsorbed on Si(001):  Geometries, Electronic Properties, and Optical Response,” The Journal of Physical Chemistry B, vol. 109, pp. 7928–7933, 2005.
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2005 | Journal Article | LibreCat-ID: 13709
P. H. Hahn, W. G. Schmidt, K. Seino, M. Preuss, F. Bechstedt, and J. Bernholc, “Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding,” Physical Review Letters, vol. 94, p. 037404, 2005.
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2005 | Journal Article | LibreCat-ID: 13846
P. H. Hahn, W. G. Schmidt, and F. Bechstedt, “Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics,” Physical Review B, vol. 72, no. 24, 2005.
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2004 | Journal Article | LibreCat-ID: 13710
A. Ohtake, P. Kocán, K. Seino, W. G. Schmidt, and N. Koguchi, “Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase,” Physical Review Letters, vol. 93, p. 266101, 2004.
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2004 | Journal Article | LibreCat-ID: 13711
K. Seino and W. G. Schmidt, “H2O on Si(001): surface optical anisotropy from first-principles calculations,” Surface Science, vol. 571, no. 157, pp. 157–160, 2004.
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2004 | Journal Article | LibreCat-ID: 13712
W. G. Schmidt et al., “Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions,” Journal of Physics: Condensed Matter, vol. 16, pp. S4323–S4334, 2004.
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2004 | Journal Article | LibreCat-ID: 13713
M. Palummo et al., “The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra,” Journal of Physics: Condensed Matter, vol. 16, pp. S4313–S4322, 2004.
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2004 | Journal Article | LibreCat-ID: 13715
M. Preuss, W. G. Schmidt, K. Seino, and F. Bechstedt, “Methylchloride adsorbed on Si(001): an ab initio study,” Applied Surface Science, vol. 234, pp. 155–161, 2004.
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2004 | Journal Article | LibreCat-ID: 13716
K. Fleischer et al., “Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy,” Applied Surface Science, vol. 234, pp. 302–306, 2004.
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2004 | Journal Article | LibreCat-ID: 13717
K. Seino, W. G. Schmidt, and F. Bechstedt, “Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection,” Physical Review Letters, vol. 93, no. 3, 2004.
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2004 | Journal Article | LibreCat-ID: 13718
M. Preuss, W. G. Schmidt, and F. Bechstedt, “Methyl Chloride Adsorption on Si(001)−Electronic Structure,” The Journal of Physical Chemistry B, vol. 108, pp. 7809–7813, 2004.
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2004 | Journal Article | LibreCat-ID: 13719
K. Seino, W. G. Schmidt, and F. Bechstedt, “Organic modification of surface electronic properties: A first-principles study of uracil on Si(001),” Physical Review B, vol. 69, p. 245309, 2004.
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