Wolf Gero Schmidt

Department Physik
Theoretische Materialphysik
Center for Optoelectronics and Photonics (CeOPP)
Sonderforschungsbereich Transregio 142
Paderborn Center for Parallel Computing (PC2)
Fakultät für Naturwissenschaften
w.g.schmidt@uni-paderborn.de
ID
468

357 Publications

Mark all

[357]
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.
LibreCat | DOI
 
[356]
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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[355]
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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[354]
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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[353]
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.
LibreCat | DOI
 
[352]
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.
LibreCat | DOI
 
[351]
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.
LibreCat | DOI
 
[350]
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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[349]
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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[348]
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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[347]
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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[346]
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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[345]
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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[344]
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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[343]
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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[342]
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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[341]
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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[340]
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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[339]
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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[338]
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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[337]
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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[336]
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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[335]
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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[334]
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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[333]
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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[332]
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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[331]
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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[330]
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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[329]
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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[328]
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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[327]
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.
LibreCat | DOI
 
[326]
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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[325]
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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[324]
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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[323]
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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[322]
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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[321]
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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[320]
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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[319]
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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[318]
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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[317]
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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[316]
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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[315]
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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[314]
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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[313]
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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[312]
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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[311]
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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[310]
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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[309]
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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[308]
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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[307]
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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[306]
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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[305]
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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[304]
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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[303]
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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[302]
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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[301]
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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[300]
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.
LibreCat | DOI
 
[299]
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.
LibreCat | DOI
 
[298]
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.
LibreCat | DOI
 
[297]
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.
LibreCat | DOI
 
[296]
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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[295]
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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[294]
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.
LibreCat | DOI
 
[293]
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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[292]
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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[291]
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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[290]
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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[289]
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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[288]
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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[287]
2004 | Journal Article | LibreCat-ID: 13720
W. G. Schmidt et al., “Calculation of surface optical properties: from qualitative understanding to quantitative predictions,” Thin Solid Films, vol. 455–456, pp. 764–771, 2004.
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[286]
2004 | Journal Article | LibreCat-ID: 13721
K. Seino and W. G. Schmidt, “Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions,” Surface Science, vol. 548, pp. 183–186, 2004.
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[285]
2004 | Journal Article | LibreCat-ID: 13722
M. Preuss, W. G. Schmidt, K. Seino, J. Furthmüller, and F. Bechstedt, “Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials,” Journal of Computational Chemistry, vol. 25, no. 1, pp. 112–122, 2004.
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[284]
2004 | Journal Article | LibreCat-ID: 4272
A. Zeiser et al., “Dynamics of the phonon-induced electron transfer between semiconductor bulk and surface states,” physica status solidi (b), vol. 241, no. 12, pp. R60–R62, 2004, doi: 10.1002/pssb.200409060.
LibreCat | Files available | DOI
 
[283]
2003 | Journal Article | LibreCat-ID: 13723
F. Bechstedt, R. Del Sole, S. Glutsch, P. H. Hahn, O. Pulci, and W. G. Schmidt, “Many-body and overlayer effects on surface optical properties,” physica status solidi (b), vol. 240, no. 3, pp. 469–479, 2003.
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[282]
2003 | Journal Article | LibreCat-ID: 13724
M. Pristovsek et al., “Gallium-rich reconstructions on GaAs(001),” physica status solidi (b), vol. 240, no. 1, pp. 91–98, 2003.
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[281]
2003 | Journal Article | LibreCat-ID: 13725
W. Lu, W. G. Schmidt, and J. Bernholc, “Cycloaddition reaction versus dimer cleavage at theSi(001):C5H8interface,” Physical Review B, vol. 68, p. 115327, 2003.
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[280]
2003 | Journal Article | LibreCat-ID: 13726
C. Castillo, B. S. Mendoza, W. G. Schmidt, P. H. Hahn, and F. Bechstedt, “Layer-by-layer analysis of surface reflectance anisotropy in semiconductors,” Physical Review B, vol. 68, p. 041310(R), 2003.
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[279]
2003 | Journal Article | LibreCat-ID: 13727
S. Wang, W. Lu, W. G. Schmidt, and J. Bernholc, “Nanowire-induced optical anisotropy of the Si(111)-In surface,” Physical Review B, vol. 68, p. 035329, 2003.
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[278]
2003 | Journal Article | LibreCat-ID: 13728
P. H. Hahn, W. G. Schmidt, F. Bechstedt, O. Pulci, and R. Del Sole, “P-richGaP(001)(2×1)/(2×2)surface:  A hydrogen-adsorbate structure determined from first-principles calculations,” Physical Review B, vol. 68, p. 033311, 2003.
LibreCat | DOI
 
[277]
2003 | Journal Article | LibreCat-ID: 13729
W. G. Schmidt and K. Seino, “Pyrrole (C4H4NH) and Polypyrrole Functionalized  Silicon Surfaces Calculated from First Principles,” Surface Review and Letters, vol. 10, no. 2–3, pp. 221–226, 2003.
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[276]
2003 | Journal Article | LibreCat-ID: 13730
P. H. Hahn and W. G. Schmidt, “Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation,” Surface Review and Letters, vol. 10, no. 2–3, pp. 163–167, 2003.
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[275]
2003 | Journal Article | LibreCat-ID: 13731
K. Seino, W. G. Schmidt, J. Furthmüller, and F. Bechstedt, “Chemisorption of pyrrole (C4H4NH) on Si(001) calculated from first-principles,” Surface Science, vol. 532–535, pp. 988–992, 2003.
LibreCat | DOI
 
[274]
2003 | Journal Article | LibreCat-ID: 13732
K. Seino, W. G. Schmidt, M. Preuss, and F. Bechstedt, “Uracil Adsorbed on Si(001):  Structure and Energetics,” The Journal of Physical Chemistry B, vol. 107, pp. 5031–5035, 2003.
LibreCat | DOI
 
[273]
2003 | Journal Article | LibreCat-ID: 13733
W. G. Schmidt et al., “InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure,” Physical Review Letters, vol. 90, no. 12, p. 126101, 2003.
LibreCat | DOI
 
[272]
2003 | Journal Article | LibreCat-ID: 13734
W. G. Schmidt, S. Glutsch, P. H. Hahn, and F. Bechstedt, “EfficientO(N2)method to solve the Bethe-Salpeter equation,” Physical Review B, vol. 67, p. 085307, 2003.
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[271]
2003 | Journal Article | LibreCat-ID: 13735
K. Seino, W. G. Schmidt, J. Furthmüller, and F. Bechstedt, “Chemisorption of pyrrole and polypyrrole on Si(001),” Physical Review B, vol. 66, p. 235323, 2003.
LibreCat | DOI
 
[270]
2002 | Journal Article | LibreCat-ID: 13736
W. G. Schmidt, F. Bechstedt, W. Lu, and J. Bernholc, “Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001),” Physical Review B, vol. 66, p. 0855334, 2002.
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[269]
2002 | Journal Article | LibreCat-ID: 13737
K. Seino, W. G. Schmidt, F. Bechstedt, and J. Bernholc, “Structure and energetics of Ga-rich GaAs() surfaces,” Surface Science, vol. 507–510, pp. 406–410, 2002.
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[268]
2002 | Journal Article | LibreCat-ID: 13738
W. G. Schmidt, F. Bechstedt, and J. Bernholc, “GaAs(001) surface reconstructions: geometries, chemical bonding and optical properties,” Applied Surface Science, vol. 190, pp. 264–268, 2002.
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[267]
2002 | Journal Article | LibreCat-ID: 13739
W. G. Schmidt, “III-V compound semiconductor (001) surfaces,” Applied Physics A: Materials Science & Processing, vol. 75, pp. 89–99, 2002.
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[266]
2002 | Journal Article | LibreCat-ID: 13740
P. H. Hahn, W. G. Schmidt, and F. Bechstedt, “Bulk Excitonic Effects in Surface Optical Spectra,” Physical Review Letters, vol. 88, no. 1, 2002.
LibreCat | DOI
 
[265]
2002 | Journal Article | LibreCat-ID: 13741
W. G. Schmidt et al., “GaAs(001): Surface Structure and Optical Properties,” physica status solidi (a), vol. 188, no. 4, pp. 1401–1409, 2002.
LibreCat | DOI
 
[264]
2002 | Journal Article | LibreCat-ID: 13742
F. Bechstedt, W. G. Schmidt, and P. H. Hahn, “Towards a Complete Many-Body Description: Optical Response of Real Surfaces,” physica status solidi (a), vol. 188, no. 4, pp. 1383–1392, 2002.
LibreCat | DOI
 
[263]
2002 | Journal Article | LibreCat-ID: 13745
G. Onida et al., “Theory for Modeling the Optical Properties of Surfaces,” physica status solidi (a), vol. 188, no. 4, pp. 1233–1242, 2002.
LibreCat | DOI
 
[262]
2002 | Journal Article | LibreCat-ID: 13749
D. Paget, Y. Garreau, M. Sauvage, P. Chiaradia, R. Pinchaux, and W. G. Schmidt, “X-ray diffraction analysis of the gallium-rich surface of GaAs(001),” Physical Review B, vol. 64, p. 161305(R), 2002.
LibreCat | DOI
 
[261]
2002 | Journal Article | LibreCat-ID: 13750
O. Pulci et al., “First-principles study of InP and GaP(001) surfaces,” Computational Materials Science, pp. 32–37, 2002.
LibreCat | DOI
 
[260]
2002 | Journal Article | LibreCat-ID: 13754
W. G. Schmidt, F. Bechstedt, and J. Bernholc, “Terrace and step contributions to the optical anisotropy of Si(001) surfaces,” Physical Review B, vol. 63, p. 045322, 2002.
LibreCat | DOI
 
[259]
2002 | Journal Article | LibreCat-ID: 13755
W. Lu, W. G. Schmidt, E. L. Briggs, and J. Bernholc, “Optical Anisotropy of theSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model,” Physical Review Letters, vol. 85, no. 20, pp. 4381–4384, 2002.
LibreCat | DOI
 
[258]
2001 | Journal Article | LibreCat-ID: 13751
N. Esser et al., “Atomic structure and optical anisotropy of III–V(001) surfaces,” Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, vol. 19, no. 5, 2001.
LibreCat | DOI
 
[257]
2001 | Journal Article | LibreCat-ID: 13753
O. Pulci, W. G. Schmidt, and F. Bechstedt, “Structure and Energetics of P-rich GaP(001) Surfaces,” physica status solidi (a), vol. 184, no. 1, pp. 105–110, 2001.
LibreCat | DOI
 
[256]
2001 | Journal Article | LibreCat-ID: 13847
K. Hingerl, R. . Balderas-Navarro, A. Bonanni, P. Tichopadek, and W. G. Schmidt, “On the origin of resonance features in reflectance difference data of silicon,” Applied Surface Science, vol. 175–176, pp. 769–776, 2001.
LibreCat | DOI
 
[255]
2001 | Journal Article | LibreCat-ID: 13849
W. G. Schmidt, F. Bechstedt, and J. Bernholc, “Terrace and step contributions to the optical anisotropy of Si(001) surfaces,” Physical Review B, vol. 63, 2001.
LibreCat | DOI
 
[254]
2000 | Journal Article | LibreCat-ID: 13756
O. Pulci, K. Lüdge, W. G. Schmidt, and F. Bechstedt, “First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces,” Surface Science, vol. 464, pp. 272–282, 2000.
LibreCat | DOI
 
[253]
2000 | Journal Article | LibreCat-ID: 13757
W. G. Schmidt, J. Bernholc, and F. Bechstedt, “(001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures,” Applied Surface Science, vol. 166, pp. 179–184, 2000.
LibreCat | DOI
 
[252]
2000 | Journal Article | LibreCat-ID: 13758
A. M. Frisch et al., “Angle Resolved Photoemission Spectroscopy of the InP(001) surface,” Applied Surface Science, vol. 166, pp. 224–230, 2000.
LibreCat | DOI
 
[251]
2000 | Journal Article | LibreCat-ID: 13759
W. G. Schmidt, S. Mirbt, and F. Bechstedt, “Surface phase diagram of (2×4) and (4×2) reconstructions of GaAs(001),” Physical Review B, vol. 62, no. 12, pp. 8087–8091, 2000.
LibreCat | DOI
 
[250]
2000 | Journal Article | LibreCat-ID: 13760
W. G. Schmidt et al., “Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum ofInP(001)(2×4),” Physical Review B, vol. 61, pp. R16335–R16338, 2000.
LibreCat | DOI
 
[249]
2000 | Journal Article | LibreCat-ID: 13761
W. G. Schmidt, F. Bechstedt, and J. Bernholc, “Understanding reflectance anisotropy: Surface-state signatures and bulk-related features,” Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, vol. 18, no. 4, 2000.
LibreCat | DOI
 
[248]
2000 | Journal Article | LibreCat-ID: 13762
W. G. Schmidt and J. Bernholc, “Step-induced optical anisotropy of Si(111):H surfaces,” Physical Review B, vol. 61, no. 11, pp. 7604–7608, 2000.
LibreCat | DOI
 
[247]
2000 | Book Chapter | LibreCat-ID: 13763
J. Bernholc et al., “Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes and Quantum Transport,” in Computer Simulation of Materials at Atomic Level, vol. 1, physica status solidi (b), 2000, pp. 685–701.
LibreCat | DOI
 
[246]
1999 | Journal Article | LibreCat-ID: 13764
F. Bechstedt, B. Adolph, and W. G. Schmidt, “Ab initio calculation of linear and nonlinear optical properties of semiconductor structures,” Brazilian Journal of Physics, vol. 29, no. 4, 1999.
LibreCat | DOI
 
[245]
1999 | Journal Article | LibreCat-ID: 13765
W. G. Schmidt, J. L. FATTEBERT, J. BERNHOLC, and F. BECHSTEDT, “SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001),” Surface Review and Letters, vol. 6, no. 6, pp. 1159–1165, 1999.
LibreCat | DOI
 
[244]
1999 | Journal Article | LibreCat-ID: 13766
F. Bechstedt, O. Pulci, and W. G. Schmidt, “Theoretical Aspects of the Optical Response of Semiconductor Surfaces,” physica status solidi (a), vol. 175, no. 5, pp. 5–16, 1999.
LibreCat | DOI
 
[243]
1999 | Journal Article | LibreCat-ID: 13767
N. Esser et al., “GaP(001) and InP(001): Reflectance anisotropy and surface geometry,” Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, vol. 17, no. 4, 1999.
LibreCat | DOI
 
[242]
1999 | Journal Article | LibreCat-ID: 13768
A. M. Frisch, W. G. Schmidt, J. Bernholc, M. Pristovsek, N. Esser, and W. Richter, “(2×4)GaP(001) surface: Atomic structure and optical anisotropy,” Physical Review B, vol. 60, no. 4, pp. 2488–2494, 1999.
LibreCat | DOI
 
[241]
1999 | Journal Article | LibreCat-ID: 13769
W. G. Schmidt, E. L. Briggs, J. Bernholc, and F. Bechstedt, “Structural fingerprints in the reflectance anisotropy spectra ofInP(001)(2×4)surfaces,” Physical Review B, vol. 59, no. 3, pp. 2234–2239, 1999.
LibreCat | DOI
 
[240]
1998 | Journal Article | LibreCat-ID: 13771
A. I. Shkrebtii et al., “Reflectance Anisotropy of GaAs(100): Theory and Experiment,” Physical Review Letters, vol. 81, no. 3, pp. 721–724, 1998.
LibreCat | DOI
 
[239]
1998 | Journal Article | LibreCat-ID: 13772
W. G. Schmidt and F. Bechstedt, “Geometry and electronic structure of InP(001)(2×4) reconstructions,” Surface Science, vol. 409, no. 3, pp. 474–484, 1998.
LibreCat | DOI
 
[238]
1998 | Journal Article | LibreCat-ID: 13773
W. G. Schmidt, F. Bechstedt, N. Esser, M. Pristovsek, C. Schultz, and W. Richter, “Atomic structure of InP(001)-(2×4): A dimer reconstruction,” Physical Review B, vol. 57, no. 23, pp. 14596–14599, 1998.
LibreCat | DOI
 
[237]
1998 | Journal Article | LibreCat-ID: 13774
W. G. Schmidt, P. Käckell, and F. Bechstedt, “In-induced (4 × 2) reconstructions of GaAs(001) surfaces,” Applied Surface Science, vol. 123–124, pp. 136–140, 1998.
LibreCat | DOI
 
[236]
1997 | Journal Article | LibreCat-ID: 13859
R. W. N. Nilen et al., “A High Resolution Investigation of the Anisotropic Electron-Positron Momentum Distribution in Diamond,” Materials Science Forum, vol. 255–257, pp. 475–478, 1997.
LibreCat | DOI
 
[235]
1997 | Journal Article | LibreCat-ID: 13775
W. G. Schmidt, “(4×2) and (2×4) reconstructions of GaAs and InP(001) surfaces,” Applied Physics A: Materials Science & Processing, vol. 65, pp. 581–586, 1997.
LibreCat | DOI
 
[234]
1997 | Journal Article | LibreCat-ID: 13776
R. W. N. Nilen et al., “The anisotropic electron - positron momentum distribution in diamond,” Journal of Physics: Condensed Matter, vol. 9, pp. 6323–6333, 1997.
LibreCat | DOI
 
[233]
1997 | Journal Article | LibreCat-ID: 13777
U. Grossner, W. G. Schmidt, and F. Bechstedt, “As on InP(110) studied within density-functional theory,” Physical Review B, vol. 56, no. 11, pp. 6719–6726, 1997.
LibreCat | DOI
 
[232]
1997 | Journal Article | LibreCat-ID: 13778
U. Großner, W. G. Schmidt, F. Bechstedt, P. V. Santos, B. Koopmans, and N. Esser, “Chemisorption of arsenic on InP(110),” Surface Science, vol. 377–379, pp. 619–622, 1997.
LibreCat | DOI
 
[231]
1997 | Journal Article | LibreCat-ID: 13779
W. G. Schmidt and F. Bechstedt, “Comparison of As-rich and Sb-terminated GaAs(100)(2 × 4) reconstructions,” Surface Science, vol. 377–379, pp. 11–14, 1997.
LibreCat | DOI
 
[230]
1997 | Journal Article | LibreCat-ID: 13780
W. G. Schmidt and F. Bechstedt, “Antimony-stabilized GaAs(001)(2×4) reconstructions,” Physical Review B, vol. 55, no. 19, pp. 13051–13057, 1997.
LibreCat | DOI
 
[229]
1997 | Journal Article | LibreCat-ID: 13781
R. W. N. Nilen et al., “Electron-positron momentum density distribution in diamond,” Applied Surface Science, vol. 116, pp. 330–334, 1997.
LibreCat | DOI
 
[228]
1996 | Journal Article | LibreCat-ID: 13782
N. Esser et al., “Atomic Structure of the Sb-Stabilized GaAs(100)-(2×4) Surface,” Physical Review Letters, vol. 77, no. 21, pp. 4402–4405, 1996.
LibreCat | DOI
 
[227]
1996 | Journal Article | LibreCat-ID: 13783
W. G. Schmidt and F. Bechstedt, “Geometry and electronic structure of GaAs(001)(2×4) reconstructions,” Physical Review B, vol. 54, no. 23, pp. 16742–16748, 1996.
LibreCat | DOI
 
[226]
1996 | Journal Article | LibreCat-ID: 13784
P. V. Santos, B. Koopmans, N. Esser, W. G. Schmidt, and F. Bechstedt, “Optical Properties of Ordered As Layers on InP(110) Surfaces,” Physical Review Letters, vol. 77, no. 4, pp. 759–762, 1996.
LibreCat | DOI
 
[225]
1996 | Journal Article | LibreCat-ID: 13785
W. G. Schmidt and F. Bechstedt, “Atomic structures of GaAs(100)-(2 × 4) reconstructions,” Surface Science, vol. 360, no. 1, pp. L473–L477, 1996.
LibreCat | DOI
 
[224]
1996 | Journal Article | LibreCat-ID: 13786
F. Bechstedt, W. G. Schmidt, and A. Scholze, “Adatoms and vacancies on the diamond(111) surface,” Europhysics Letters (EPL), vol. 35, no. 8, pp. 585–590, 1996.
LibreCat | DOI
 
[223]
1996 | Journal Article | LibreCat-ID: 13788
W. G. Schmidt and W. . Verwoerd, “Annihilation of delocalized positrons: a comparison of diamond and silicon,” Physics Letters A, vol. 222, no. 4, pp. 275–280, 1996.
LibreCat | DOI
 
[222]
1996 | Journal Article | LibreCat-ID: 13789
A. Scholze, W. G. Schmidt, and F. Bechstedt, “Structure of the diamond (111) surface: Single-dangling-bond versus triple-dangling-bond face,” Physical Review B, vol. 53, no. 20, pp. 13725–13733, 1996.
LibreCat | DOI
 
[221]
1996 | Journal Article | LibreCat-ID: 13790
W. G. Schmidt, P. Käckell, and F. Bechstedt, “3d core-level shifts at,” Surface Science, vol. 357–358, pp. 545–549, 1996.
LibreCat | DOI
 
[220]
1996 | Journal Article | LibreCat-ID: 13791
A. Scholze, W. G. Schmidt, and F. Bechstedt, “Diamond (111) and (100) surface reconstructions,” Thin Solid Films, vol. 281–282, pp. 256–259, 1996.
LibreCat | DOI
 
[219]
1996 | Journal Article | LibreCat-ID: 13792
W. G. Schmidt, F. Bechstedt, and G. P. Srivastava, “Phonons at III–V (110) surfaces,” Surface Science, vol. 352–354, pp. 83–88, 1996.
LibreCat | DOI
 
[218]
1996 | Journal Article | LibreCat-ID: 13793
W. G. Schmidt, A. Scholze, and F. Bechstedt, “Dimerized, buckled, or ideal chains on the diamond (111)2 × 1 surface?,” Surface Science, vol. 351, pp. 183–188, 1996.
LibreCat | DOI
 
[217]
1996 | Journal Article | LibreCat-ID: 13794
P. Käckell, W. G. Schmidt, and F. Bechstedt, “Se-induced 3d core-level shifts of GaAs(110),” Applied Surface Science, vol. 104–105, pp. 141–146, 1996.
LibreCat | DOI
 
[216]
1996 | Journal Article | LibreCat-ID: 13795
A. Scholze, W. G. Schmidt, P. Käckell, and F. Bechstedt, “Diamond (111) and (100) surface: ab initio study of the atomic and electronic structure,” Materials Science and Engineering: B, vol. 37, no. 1–3, pp. 158–161, 1996.
LibreCat | DOI
 
[215]
1995 | Journal Article | LibreCat-ID: 13796
P. V. Santos, N. Esser, J. Groenen, M. Cardona, W. G. Schmidt, and F. Bechstedt, “Hydrogen interaction with Sb-terminated GaAs and InP (110) surfaces,” Physical Review B, vol. 52, no. 24, pp. 17379–17385, 1995.
LibreCat | DOI
 
[214]
1995 | Journal Article | LibreCat-ID: 13797
P. V. Santos, N. Esser, M. Cardona, W. G. Schmidt, and F. Bechstedt, “Optical properties of Sb-terminated GaAs and InP (110) surfaces,” Physical Review B, vol. 52, no. 16, pp. 12158–12167, 1995.
LibreCat | DOI
 
[213]
1995 | Journal Article | LibreCat-ID: 13798
W. G. Schmidt, F. Bechstedt, and G. P. Srivastava, “III-V(110) surface dynamics from anab initiofrozen-phonon approach,” Physical Review B, vol. 52, no. 3, pp. 2001–2007, 1995.
LibreCat | DOI
 
[212]
1995 | Journal Article | LibreCat-ID: 13799
W. G. Schmidt and F. Bechstedt, “Se/GaAs(110): energetics and structure,” Surface Science, vol. 331–333, no. Part A, pp. 557–563, 1995.
LibreCat | DOI
 
[211]
1995 | Journal Article | LibreCat-ID: 13800
C. Kress, M. Fiedler, W. G. Schmidt, and F. Bechstedt, “Quasi-particle band structure of C(111)2 × 1 and C(100)2 × 1 surfaces,” Surface Science, vol. 331–333, pp. 1152–1156, 1995.
LibreCat | DOI
 
[210]
1995 | Journal Article | LibreCat-ID: 13801
W. G. Schmidt and G. P. Srivastava, “III-V(110)/Sb(1 ML): structural and dynamical properties,” Surface Science, vol. 331–333, no. Part A, pp. 540–545, 1995.
LibreCat | DOI
 
[209]
1995 | Journal Article | LibreCat-ID: 13850
C. Kress, M. Fiedler, W. G. Schmidt, and F. Bechstedt, “Geometrical and electronic structure of the reconstructed diamond (100) surface,” Physical Review B, vol. 50, no. 23, pp. 17697–17700, 1995.
LibreCat | DOI
 
[208]
1995 | Journal Article | LibreCat-ID: 13851
W. G. Schmidt and F. Bechstedt, “Exchange reactions versus adsorption geometries for Se/GaAs(110),” Physical Review B, vol. 50, no. 23, pp. 17651–17654, 1995.
LibreCat | DOI
 
[207]
1995 | Journal Article | LibreCat-ID: 13852
W. G. Schmidt and F. Bechstedt, “Se/GaAs(110): Atomic and electronic structure,” Physical Review B, vol. 50, no. 23, pp. 17280–17291, 1995.
LibreCat | DOI
 
[206]
1994 | Journal Article | LibreCat-ID: 13853
F. Bechstedt, W. G. Schmidt, and B. Wenzien, “Energetics and Structure of Ordered Sb Overlayers and Sb Clusters on GaAs(110) Probed by Ab Initio Calculations,” Europhysics Letters (EPL), vol. 25, no. 5, pp. 357–362, 1994.
LibreCat | DOI
 
[205]
1994 | Journal Article | LibreCat-ID: 13854
W. G. Schmidt and G. Srivastava, “First principles calculations of interface phonons of an Epitaxial Sb monolayer on GaAs(110) and InP(110),” Solid State Communications, vol. 89, no. 4, pp. 345–348, 1994.
LibreCat | DOI
 
[204]
1994 | Journal Article | LibreCat-ID: 13855
W. G. Schmidt, B. Wenzien, and F. Bechstedt, “Coverage-dependent bonding of Sb on GaAs (110),” Surface Science, vol. 307–309, no. Part A, pp. 235–240, 1994.
LibreCat | DOI
 
[203]
1994 | Journal Article | LibreCat-ID: 13856
W. G. Schmidt, B. Wenzien, and F. Bechstedt, “Chemisorption of antimony on GaAs(110),” Physical Review B, vol. 49, no. 7, pp. 4731–4744, 1994.
LibreCat | DOI
 
[202]
1993 | Journal Article | LibreCat-ID: 13857
W. G. Schmidt and G. P. Srivastava, “Chemisorption of aluminium on GaAs(110),” Journal of Physics: Condensed Matter, vol. 5, no. 49, pp. 9025–9036, 1993.
LibreCat | DOI
 
[201]
1993 | Journal Article | LibreCat-ID: 13858
W. G. Schmidt, B. Wenzien, and F. Bechstedt, “AB initio calculation of the atomic and electronic structure for Sb adsorbed on GaAs(110),” Czechoslovak Journal of Physics, vol. 43, no. 9–10, pp. 1003–1007, 1993.
LibreCat | DOI
 
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[357]
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.
LibreCat | DOI
 
[356]
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.
LibreCat | DOI
 
[355]
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.
LibreCat | DOI
 
[354]
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.
LibreCat | DOI
 
[353]
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.
LibreCat | DOI
 
[352]
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.
LibreCat | DOI
 
[351]
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.
LibreCat | DOI
 
[350]
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.
LibreCat | DOI
 
[349]
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.
LibreCat | DOI
 
[348]
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.
LibreCat | DOI
 
[347]
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.
LibreCat | DOI
 
[346]
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.
LibreCat | DOI
 
[345]
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.
LibreCat | DOI
 
[344]
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.
LibreCat | DOI
 
[343]
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.
LibreCat | DOI
 
[342]
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.
LibreCat | DOI
 
[341]
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.
LibreCat | DOI
 
[340]
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.
LibreCat | DOI
 
[339]
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.
LibreCat | DOI
 
[338]
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.
LibreCat | DOI
 
[337]
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.
LibreCat | DOI
 
[336]
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.
LibreCat | DOI
 
[335]
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.
LibreCat | DOI
 
[334]
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.
LibreCat | DOI
 
[333]
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.
LibreCat | DOI
 
[332]
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.
LibreCat | DOI
 
[331]
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.
LibreCat | DOI
 
[330]
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.
LibreCat | DOI
 
[329]
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.
LibreCat | DOI
 
[328]
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.
LibreCat | DOI
 
[327]
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.
LibreCat | DOI
 
[326]
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.
LibreCat | DOI
 
[325]
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.
LibreCat | DOI
 
[324]
2007 | Journal Article | LibreCat-ID: 13682
J. Bernholc et al., “Atomic scale design of nanostructures,” Molecular Physics, pp. 147–156, 2007.
LibreCat | DOI
 
[323]
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.
LibreCat | DOI
 
[322]
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.
LibreCat | DOI
 
[321]
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.
LibreCat | DOI
 
[320]
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.
LibreCat | DOI
 
[319]
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.
LibreCat | DOI
 
[318]
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.
LibreCat | DOI
 
[317]
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.
LibreCat | DOI
 
[316]
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.
LibreCat | DOI
 
[315]
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.
LibreCat | DOI
 
[314]
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.
LibreCat | DOI
 
[313]
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.
LibreCat | DOI
 
[312]
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.
LibreCat | DOI
 
[311]
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.
LibreCat | DOI
 
[310]
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.
LibreCat | DOI
 
[309]
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.
LibreCat | DOI
 
[308]
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.
LibreCat | DOI
 
[307]
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.
LibreCat | DOI
 
[306]
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.
LibreCat | DOI
 
[305]
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.
LibreCat | DOI
 
[304]
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.
LibreCat | DOI
 
[303]
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.
LibreCat | DOI
 
[302]
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.
LibreCat | DOI
 
[301]
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.
LibreCat | DOI
 
[300]
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.
LibreCat | DOI
 
[299]
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.
LibreCat | DOI
 
[298]
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.
LibreCat | DOI
 
[297]
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.
LibreCat | DOI
 
[296]
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.
LibreCat | DOI
 
[295]
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.
LibreCat | DOI
 
[294]
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.
LibreCat | DOI
 
[293]
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.
LibreCat | DOI
 
[292]
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.
LibreCat | DOI
 
[291]
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.
LibreCat | DOI
 
[290]
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.
LibreCat | DOI
 
[289]
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.
LibreCat | DOI
 
[288]
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.
LibreCat | DOI
 
[287]
2004 | Journal Article | LibreCat-ID: 13720
W. G. Schmidt et al., “Calculation of surface optical properties: from qualitative understanding to quantitative predictions,” Thin Solid Films, vol. 455–456, pp. 764–771, 2004.
LibreCat | DOI
 
[286]
2004 | Journal Article | LibreCat-ID: 13721
K. Seino and W. G. Schmidt, “Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions,” Surface Science, vol. 548, pp. 183–186, 2004.
LibreCat | DOI
 
[285]
2004 | Journal Article | LibreCat-ID: 13722
M. Preuss, W. G. Schmidt, K. Seino, J. Furthmüller, and F. Bechstedt, “Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials,” Journal of Computational Chemistry, vol. 25, no. 1, pp. 112–122, 2004.
LibreCat | DOI
 
[284]
2004 | Journal Article | LibreCat-ID: 4272
A. Zeiser et al., “Dynamics of the phonon-induced electron transfer between semiconductor bulk and surface states,” physica status solidi (b), vol. 241, no. 12, pp. R60–R62, 2004, doi: 10.1002/pssb.200409060.
LibreCat | Files available | DOI
 
[283]
2003 | Journal Article | LibreCat-ID: 13723
F. Bechstedt, R. Del Sole, S. Glutsch, P. H. Hahn, O. Pulci, and W. G. Schmidt, “Many-body and overlayer effects on surface optical properties,” physica status solidi (b), vol. 240, no. 3, pp. 469–479, 2003.
LibreCat | DOI
 
[282]
2003 | Journal Article | LibreCat-ID: 13724
M. Pristovsek et al., “Gallium-rich reconstructions on GaAs(001),” physica status solidi (b), vol. 240, no. 1, pp. 91–98, 2003.
LibreCat | DOI
 
[281]
2003 | Journal Article | LibreCat-ID: 13725
W. Lu, W. G. Schmidt, and J. Bernholc, “Cycloaddition reaction versus dimer cleavage at theSi(001):C5H8interface,” Physical Review B, vol. 68, p. 115327, 2003.
LibreCat | DOI
 
[280]
2003 | Journal Article | LibreCat-ID: 13726
C. Castillo, B. S. Mendoza, W. G. Schmidt, P. H. Hahn, and F. Bechstedt, “Layer-by-layer analysis of surface reflectance anisotropy in semiconductors,” Physical Review B, vol. 68, p. 041310(R), 2003.
LibreCat | DOI
 
[279]
2003 | Journal Article | LibreCat-ID: 13727
S. Wang, W. Lu, W. G. Schmidt, and J. Bernholc, “Nanowire-induced optical anisotropy of the Si(111)-In surface,” Physical Review B, vol. 68, p. 035329, 2003.
LibreCat | DOI
 
[278]
2003 | Journal Article | LibreCat-ID: 13728
P. H. Hahn, W. G. Schmidt, F. Bechstedt, O. Pulci, and R. Del Sole, “P-richGaP(001)(2×1)/(2×2)surface:  A hydrogen-adsorbate structure determined from first-principles calculations,” Physical Review B, vol. 68, p. 033311, 2003.
LibreCat | DOI
 
[277]
2003 | Journal Article | LibreCat-ID: 13729
W. G. Schmidt and K. Seino, “Pyrrole (C4H4NH) and Polypyrrole Functionalized  Silicon Surfaces Calculated from First Principles,” Surface Review and Letters, vol. 10, no. 2–3, pp. 221–226, 2003.
LibreCat | DOI
 
[276]
2003 | Journal Article | LibreCat-ID: 13730
P. H. Hahn and W. G. Schmidt, “Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation,” Surface Review and Letters, vol. 10, no. 2–3, pp. 163–167, 2003.
LibreCat | DOI
 
[275]
2003 | Journal Article | LibreCat-ID: 13731
K. Seino, W. G. Schmidt, J. Furthmüller, and F. Bechstedt, “Chemisorption of pyrrole (C4H4NH) on Si(001) calculated from first-principles,” Surface Science, vol. 532–535, pp. 988–992, 2003.
LibreCat | DOI
 
[274]
2003 | Journal Article | LibreCat-ID: 13732
K. Seino, W. G. Schmidt, M. Preuss, and F. Bechstedt, “Uracil Adsorbed on Si(001):  Structure and Energetics,” The Journal of Physical Chemistry B, vol. 107, pp. 5031–5035, 2003.
LibreCat | DOI
 
[273]
2003 | Journal Article | LibreCat-ID: 13733
W. G. Schmidt et al., “InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure,” Physical Review Letters, vol. 90, no. 12, p. 126101, 2003.
LibreCat | DOI
 
[272]
2003 | Journal Article | LibreCat-ID: 13734
W. G. Schmidt, S. Glutsch, P. H. Hahn, and F. Bechstedt, “EfficientO(N2)method to solve the Bethe-Salpeter equation,” Physical Review B, vol. 67, p. 085307, 2003.
LibreCat | DOI
 
[271]
2003 | Journal Article | LibreCat-ID: 13735
K. Seino, W. G. Schmidt, J. Furthmüller, and F. Bechstedt, “Chemisorption of pyrrole and polypyrrole on Si(001),” Physical Review B, vol. 66, p. 235323, 2003.
LibreCat | DOI
 
[270]
2002 | Journal Article | LibreCat-ID: 13736
W. G. Schmidt, F. Bechstedt, W. Lu, and J. Bernholc, “Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001),” Physical Review B, vol. 66, p. 0855334, 2002.
LibreCat | DOI
 
[269]
2002 | Journal Article | LibreCat-ID: 13737
K. Seino, W. G. Schmidt, F. Bechstedt, and J. Bernholc, “Structure and energetics of Ga-rich GaAs() surfaces,” Surface Science, vol. 507–510, pp. 406–410, 2002.
LibreCat | DOI
 
[268]
2002 | Journal Article | LibreCat-ID: 13738
W. G. Schmidt, F. Bechstedt, and J. Bernholc, “GaAs(001) surface reconstructions: geometries, chemical bonding and optical properties,” Applied Surface Science, vol. 190, pp. 264–268, 2002.
LibreCat | DOI
 
[267]
2002 | Journal Article | LibreCat-ID: 13739
W. G. Schmidt, “III-V compound semiconductor (001) surfaces,” Applied Physics A: Materials Science & Processing, vol. 75, pp. 89–99, 2002.
LibreCat | DOI
 
[266]
2002 | Journal Article | LibreCat-ID: 13740
P. H. Hahn, W. G. Schmidt, and F. Bechstedt, “Bulk Excitonic Effects in Surface Optical Spectra,” Physical Review Letters, vol. 88, no. 1, 2002.
LibreCat | DOI
 
[265]
2002 | Journal Article | LibreCat-ID: 13741
W. G. Schmidt et al., “GaAs(001): Surface Structure and Optical Properties,” physica status solidi (a), vol. 188, no. 4, pp. 1401–1409, 2002.
LibreCat | DOI
 
[264]
2002 | Journal Article | LibreCat-ID: 13742
F. Bechstedt, W. G. Schmidt, and P. H. Hahn, “Towards a Complete Many-Body Description: Optical Response of Real Surfaces,” physica status solidi (a), vol. 188, no. 4, pp. 1383–1392, 2002.
LibreCat | DOI
 
[263]
2002 | Journal Article | LibreCat-ID: 13745
G. Onida et al., “Theory for Modeling the Optical Properties of Surfaces,” physica status solidi (a), vol. 188, no. 4, pp. 1233–1242, 2002.
LibreCat | DOI
 
[262]
2002 | Journal Article | LibreCat-ID: 13749
D. Paget, Y. Garreau, M. Sauvage, P. Chiaradia, R. Pinchaux, and W. G. Schmidt, “X-ray diffraction analysis of the gallium-rich surface of GaAs(001),” Physical Review B, vol. 64, p. 161305(R), 2002.
LibreCat | DOI
 
[261]
2002 | Journal Article | LibreCat-ID: 13750
O. Pulci et al., “First-principles study of InP and GaP(001) surfaces,” Computational Materials Science, pp. 32–37, 2002.
LibreCat | DOI
 
[260]
2002 | Journal Article | LibreCat-ID: 13754
W. G. Schmidt, F. Bechstedt, and J. Bernholc, “Terrace and step contributions to the optical anisotropy of Si(001) surfaces,” Physical Review B, vol. 63, p. 045322, 2002.
LibreCat | DOI
 
[259]
2002 | Journal Article | LibreCat-ID: 13755
W. Lu, W. G. Schmidt, E. L. Briggs, and J. Bernholc, “Optical Anisotropy of theSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model,” Physical Review Letters, vol. 85, no. 20, pp. 4381–4384, 2002.
LibreCat | DOI
 
[258]
2001 | Journal Article | LibreCat-ID: 13751
N. Esser et al., “Atomic structure and optical anisotropy of III–V(001) surfaces,” Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, vol. 19, no. 5, 2001.
LibreCat | DOI
 
[257]
2001 | Journal Article | LibreCat-ID: 13753
O. Pulci, W. G. Schmidt, and F. Bechstedt, “Structure and Energetics of P-rich GaP(001) Surfaces,” physica status solidi (a), vol. 184, no. 1, pp. 105–110, 2001.
LibreCat | DOI
 
[256]
2001 | Journal Article | LibreCat-ID: 13847
K. Hingerl, R. . Balderas-Navarro, A. Bonanni, P. Tichopadek, and W. G. Schmidt, “On the origin of resonance features in reflectance difference data of silicon,” Applied Surface Science, vol. 175–176, pp. 769–776, 2001.
LibreCat | DOI
 
[255]
2001 | Journal Article | LibreCat-ID: 13849
W. G. Schmidt, F. Bechstedt, and J. Bernholc, “Terrace and step contributions to the optical anisotropy of Si(001) surfaces,” Physical Review B, vol. 63, 2001.
LibreCat | DOI
 
[254]
2000 | Journal Article | LibreCat-ID: 13756
O. Pulci, K. Lüdge, W. G. Schmidt, and F. Bechstedt, “First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces,” Surface Science, vol. 464, pp. 272–282, 2000.
LibreCat | DOI
 
[253]
2000 | Journal Article | LibreCat-ID: 13757
W. G. Schmidt, J. Bernholc, and F. Bechstedt, “(001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures,” Applied Surface Science, vol. 166, pp. 179–184, 2000.
LibreCat | DOI
 
[252]
2000 | Journal Article | LibreCat-ID: 13758
A. M. Frisch et al., “Angle Resolved Photoemission Spectroscopy of the InP(001) surface,” Applied Surface Science, vol. 166, pp. 224–230, 2000.
LibreCat | DOI
 
[251]
2000 | Journal Article | LibreCat-ID: 13759
W. G. Schmidt, S. Mirbt, and F. Bechstedt, “Surface phase diagram of (2×4) and (4×2) reconstructions of GaAs(001),” Physical Review B, vol. 62, no. 12, pp. 8087–8091, 2000.
LibreCat | DOI
 
[250]
2000 | Journal Article | LibreCat-ID: 13760
W. G. Schmidt et al., “Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum ofInP(001)(2×4),” Physical Review B, vol. 61, pp. R16335–R16338, 2000.
LibreCat | DOI
 
[249]
2000 | Journal Article | LibreCat-ID: 13761
W. G. Schmidt, F. Bechstedt, and J. Bernholc, “Understanding reflectance anisotropy: Surface-state signatures and bulk-related features,” Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, vol. 18, no. 4, 2000.
LibreCat | DOI
 
[248]
2000 | Journal Article | LibreCat-ID: 13762
W. G. Schmidt and J. Bernholc, “Step-induced optical anisotropy of Si(111):H surfaces,” Physical Review B, vol. 61, no. 11, pp. 7604–7608, 2000.
LibreCat | DOI
 
[247]
2000 | Book Chapter | LibreCat-ID: 13763
J. Bernholc et al., “Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes and Quantum Transport,” in Computer Simulation of Materials at Atomic Level, vol. 1, physica status solidi (b), 2000, pp. 685–701.
LibreCat | DOI
 
[246]
1999 | Journal Article | LibreCat-ID: 13764
F. Bechstedt, B. Adolph, and W. G. Schmidt, “Ab initio calculation of linear and nonlinear optical properties of semiconductor structures,” Brazilian Journal of Physics, vol. 29, no. 4, 1999.
LibreCat | DOI
 
[245]
1999 | Journal Article | LibreCat-ID: 13765
W. G. Schmidt, J. L. FATTEBERT, J. BERNHOLC, and F. BECHSTEDT, “SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001),” Surface Review and Letters, vol. 6, no. 6, pp. 1159–1165, 1999.
LibreCat | DOI
 
[244]
1999 | Journal Article | LibreCat-ID: 13766
F. Bechstedt, O. Pulci, and W. G. Schmidt, “Theoretical Aspects of the Optical Response of Semiconductor Surfaces,” physica status solidi (a), vol. 175, no. 5, pp. 5–16, 1999.
LibreCat | DOI
 
[243]
1999 | Journal Article | LibreCat-ID: 13767
N. Esser et al., “GaP(001) and InP(001): Reflectance anisotropy and surface geometry,” Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, vol. 17, no. 4, 1999.
LibreCat | DOI
 
[242]
1999 | Journal Article | LibreCat-ID: 13768
A. M. Frisch, W. G. Schmidt, J. Bernholc, M. Pristovsek, N. Esser, and W. Richter, “(2×4)GaP(001) surface: Atomic structure and optical anisotropy,” Physical Review B, vol. 60, no. 4, pp. 2488–2494, 1999.
LibreCat | DOI
 
[241]
1999 | Journal Article | LibreCat-ID: 13769
W. G. Schmidt, E. L. Briggs, J. Bernholc, and F. Bechstedt, “Structural fingerprints in the reflectance anisotropy spectra ofInP(001)(2×4)surfaces,” Physical Review B, vol. 59, no. 3, pp. 2234–2239, 1999.
LibreCat | DOI
 
[240]
1998 | Journal Article | LibreCat-ID: 13771
A. I. Shkrebtii et al., “Reflectance Anisotropy of GaAs(100): Theory and Experiment,” Physical Review Letters, vol. 81, no. 3, pp. 721–724, 1998.
LibreCat | DOI
 
[239]
1998 | Journal Article | LibreCat-ID: 13772
W. G. Schmidt and F. Bechstedt, “Geometry and electronic structure of InP(001)(2×4) reconstructions,” Surface Science, vol. 409, no. 3, pp. 474–484, 1998.
LibreCat | DOI
 
[238]
1998 | Journal Article | LibreCat-ID: 13773
W. G. Schmidt, F. Bechstedt, N. Esser, M. Pristovsek, C. Schultz, and W. Richter, “Atomic structure of InP(001)-(2×4): A dimer reconstruction,” Physical Review B, vol. 57, no. 23, pp. 14596–14599, 1998.
LibreCat | DOI
 
[237]
1998 | Journal Article | LibreCat-ID: 13774
W. G. Schmidt, P. Käckell, and F. Bechstedt, “In-induced (4 × 2) reconstructions of GaAs(001) surfaces,” Applied Surface Science, vol. 123–124, pp. 136–140, 1998.
LibreCat | DOI
 
[236]
1997 | Journal Article | LibreCat-ID: 13859
R. W. N. Nilen et al., “A High Resolution Investigation of the Anisotropic Electron-Positron Momentum Distribution in Diamond,” Materials Science Forum, vol. 255–257, pp. 475–478, 1997.
LibreCat | DOI
 
[235]
1997 | Journal Article | LibreCat-ID: 13775
W. G. Schmidt, “(4×2) and (2×4) reconstructions of GaAs and InP(001) surfaces,” Applied Physics A: Materials Science & Processing, vol. 65, pp. 581–586, 1997.
LibreCat | DOI
 
[234]
1997 | Journal Article | LibreCat-ID: 13776
R. W. N. Nilen et al., “The anisotropic electron - positron momentum distribution in diamond,” Journal of Physics: Condensed Matter, vol. 9, pp. 6323–6333, 1997.
LibreCat | DOI
 
[233]
1997 | Journal Article | LibreCat-ID: 13777
U. Grossner, W. G. Schmidt, and F. Bechstedt, “As on InP(110) studied within density-functional theory,” Physical Review B, vol. 56, no. 11, pp. 6719–6726, 1997.
LibreCat | DOI
 
[232]
1997 | Journal Article | LibreCat-ID: 13778
U. Großner, W. G. Schmidt, F. Bechstedt, P. V. Santos, B. Koopmans, and N. Esser, “Chemisorption of arsenic on InP(110),” Surface Science, vol. 377–379, pp. 619–622, 1997.
LibreCat | DOI
 
[231]
1997 | Journal Article | LibreCat-ID: 13779
W. G. Schmidt and F. Bechstedt, “Comparison of As-rich and Sb-terminated GaAs(100)(2 × 4) reconstructions,” Surface Science, vol. 377–379, pp. 11–14, 1997.
LibreCat | DOI
 
[230]
1997 | Journal Article | LibreCat-ID: 13780
W. G. Schmidt and F. Bechstedt, “Antimony-stabilized GaAs(001)(2×4) reconstructions,” Physical Review B, vol. 55, no. 19, pp. 13051–13057, 1997.
LibreCat | DOI
 
[229]
1997 | Journal Article | LibreCat-ID: 13781
R. W. N. Nilen et al., “Electron-positron momentum density distribution in diamond,” Applied Surface Science, vol. 116, pp. 330–334, 1997.
LibreCat | DOI
 
[228]
1996 | Journal Article | LibreCat-ID: 13782
N. Esser et al., “Atomic Structure of the Sb-Stabilized GaAs(100)-(2×4) Surface,” Physical Review Letters, vol. 77, no. 21, pp. 4402–4405, 1996.
LibreCat | DOI
 
[227]
1996 | Journal Article | LibreCat-ID: 13783
W. G. Schmidt and F. Bechstedt, “Geometry and electronic structure of GaAs(001)(2×4) reconstructions,” Physical Review B, vol. 54, no. 23, pp. 16742–16748, 1996.
LibreCat | DOI
 
[226]
1996 | Journal Article | LibreCat-ID: 13784
P. V. Santos, B. Koopmans, N. Esser, W. G. Schmidt, and F. Bechstedt, “Optical Properties of Ordered As Layers on InP(110) Surfaces,” Physical Review Letters, vol. 77, no. 4, pp. 759–762, 1996.
LibreCat | DOI
 
[225]
1996 | Journal Article | LibreCat-ID: 13785
W. G. Schmidt and F. Bechstedt, “Atomic structures of GaAs(100)-(2 × 4) reconstructions,” Surface Science, vol. 360, no. 1, pp. L473–L477, 1996.
LibreCat | DOI
 
[224]
1996 | Journal Article | LibreCat-ID: 13786
F. Bechstedt, W. G. Schmidt, and A. Scholze, “Adatoms and vacancies on the diamond(111) surface,” Europhysics Letters (EPL), vol. 35, no. 8, pp. 585–590, 1996.
LibreCat | DOI
 
[223]
1996 | Journal Article | LibreCat-ID: 13788
W. G. Schmidt and W. . Verwoerd, “Annihilation of delocalized positrons: a comparison of diamond and silicon,” Physics Letters A, vol. 222, no. 4, pp. 275–280, 1996.
LibreCat | DOI
 
[222]
1996 | Journal Article | LibreCat-ID: 13789
A. Scholze, W. G. Schmidt, and F. Bechstedt, “Structure of the diamond (111) surface: Single-dangling-bond versus triple-dangling-bond face,” Physical Review B, vol. 53, no. 20, pp. 13725–13733, 1996.
LibreCat | DOI
 
[221]
1996 | Journal Article | LibreCat-ID: 13790
W. G. Schmidt, P. Käckell, and F. Bechstedt, “3d core-level shifts at,” Surface Science, vol. 357–358, pp. 545–549, 1996.
LibreCat | DOI
 
[220]
1996 | Journal Article | LibreCat-ID: 13791
A. Scholze, W. G. Schmidt, and F. Bechstedt, “Diamond (111) and (100) surface reconstructions,” Thin Solid Films, vol. 281–282, pp. 256–259, 1996.
LibreCat | DOI
 
[219]
1996 | Journal Article | LibreCat-ID: 13792
W. G. Schmidt, F. Bechstedt, and G. P. Srivastava, “Phonons at III–V (110) surfaces,” Surface Science, vol. 352–354, pp. 83–88, 1996.
LibreCat | DOI
 
[218]
1996 | Journal Article | LibreCat-ID: 13793
W. G. Schmidt, A. Scholze, and F. Bechstedt, “Dimerized, buckled, or ideal chains on the diamond (111)2 × 1 surface?,” Surface Science, vol. 351, pp. 183–188, 1996.
LibreCat | DOI
 
[217]
1996 | Journal Article | LibreCat-ID: 13794
P. Käckell, W. G. Schmidt, and F. Bechstedt, “Se-induced 3d core-level shifts of GaAs(110),” Applied Surface Science, vol. 104–105, pp. 141–146, 1996.
LibreCat | DOI
 
[216]
1996 | Journal Article | LibreCat-ID: 13795
A. Scholze, W. G. Schmidt, P. Käckell, and F. Bechstedt, “Diamond (111) and (100) surface: ab initio study of the atomic and electronic structure,” Materials Science and Engineering: B, vol. 37, no. 1–3, pp. 158–161, 1996.
LibreCat | DOI
 
[215]
1995 | Journal Article | LibreCat-ID: 13796
P. V. Santos, N. Esser, J. Groenen, M. Cardona, W. G. Schmidt, and F. Bechstedt, “Hydrogen interaction with Sb-terminated GaAs and InP (110) surfaces,” Physical Review B, vol. 52, no. 24, pp. 17379–17385, 1995.
LibreCat | DOI
 
[214]
1995 | Journal Article | LibreCat-ID: 13797
P. V. Santos, N. Esser, M. Cardona, W. G. Schmidt, and F. Bechstedt, “Optical properties of Sb-terminated GaAs and InP (110) surfaces,” Physical Review B, vol. 52, no. 16, pp. 12158–12167, 1995.
LibreCat | DOI
 
[213]
1995 | Journal Article | LibreCat-ID: 13798
W. G. Schmidt, F. Bechstedt, and G. P. Srivastava, “III-V(110) surface dynamics from anab initiofrozen-phonon approach,” Physical Review B, vol. 52, no. 3, pp. 2001–2007, 1995.
LibreCat | DOI
 
[212]
1995 | Journal Article | LibreCat-ID: 13799
W. G. Schmidt and F. Bechstedt, “Se/GaAs(110): energetics and structure,” Surface Science, vol. 331–333, no. Part A, pp. 557–563, 1995.
LibreCat | DOI
 
[211]
1995 | Journal Article | LibreCat-ID: 13800
C. Kress, M. Fiedler, W. G. Schmidt, and F. Bechstedt, “Quasi-particle band structure of C(111)2 × 1 and C(100)2 × 1 surfaces,” Surface Science, vol. 331–333, pp. 1152–1156, 1995.
LibreCat | DOI
 
[210]
1995 | Journal Article | LibreCat-ID: 13801
W. G. Schmidt and G. P. Srivastava, “III-V(110)/Sb(1 ML): structural and dynamical properties,” Surface Science, vol. 331–333, no. Part A, pp. 540–545, 1995.
LibreCat | DOI
 
[209]
1995 | Journal Article | LibreCat-ID: 13850
C. Kress, M. Fiedler, W. G. Schmidt, and F. Bechstedt, “Geometrical and electronic structure of the reconstructed diamond (100) surface,” Physical Review B, vol. 50, no. 23, pp. 17697–17700, 1995.
LibreCat | DOI
 
[208]
1995 | Journal Article | LibreCat-ID: 13851
W. G. Schmidt and F. Bechstedt, “Exchange reactions versus adsorption geometries for Se/GaAs(110),” Physical Review B, vol. 50, no. 23, pp. 17651–17654, 1995.
LibreCat | DOI
 
[207]
1995 | Journal Article | LibreCat-ID: 13852
W. G. Schmidt and F. Bechstedt, “Se/GaAs(110): Atomic and electronic structure,” Physical Review B, vol. 50, no. 23, pp. 17280–17291, 1995.
LibreCat | DOI
 
[206]
1994 | Journal Article | LibreCat-ID: 13853
F. Bechstedt, W. G. Schmidt, and B. Wenzien, “Energetics and Structure of Ordered Sb Overlayers and Sb Clusters on GaAs(110) Probed by Ab Initio Calculations,” Europhysics Letters (EPL), vol. 25, no. 5, pp. 357–362, 1994.
LibreCat | DOI
 
[205]
1994 | Journal Article | LibreCat-ID: 13854
W. G. Schmidt and G. Srivastava, “First principles calculations of interface phonons of an Epitaxial Sb monolayer on GaAs(110) and InP(110),” Solid State Communications, vol. 89, no. 4, pp. 345–348, 1994.
LibreCat | DOI
 
[204]
1994 | Journal Article | LibreCat-ID: 13855
W. G. Schmidt, B. Wenzien, and F. Bechstedt, “Coverage-dependent bonding of Sb on GaAs (110),” Surface Science, vol. 307–309, no. Part A, pp. 235–240, 1994.
LibreCat | DOI
 
[203]
1994 | Journal Article | LibreCat-ID: 13856
W. G. Schmidt, B. Wenzien, and F. Bechstedt, “Chemisorption of antimony on GaAs(110),” Physical Review B, vol. 49, no. 7, pp. 4731–4744, 1994.
LibreCat | DOI
 
[202]
1993 | Journal Article | LibreCat-ID: 13857
W. G. Schmidt and G. P. Srivastava, “Chemisorption of aluminium on GaAs(110),” Journal of Physics: Condensed Matter, vol. 5, no. 49, pp. 9025–9036, 1993.
LibreCat | DOI
 
[201]
1993 | Journal Article | LibreCat-ID: 13858
W. G. Schmidt, B. Wenzien, and F. Bechstedt, “AB initio calculation of the atomic and electronic structure for Sb adsorbed on GaAs(110),” Czechoslovak Journal of Physics, vol. 43, no. 9–10, pp. 1003–1007, 1993.
LibreCat | DOI
 
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