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

343 Publications

Mark all

[343]
2009 | Journal Article | LibreCat-ID: 13662
Blankenburg S, Schmidt WG. Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions. Journal of Physics: Condensed Matter. 2009;21. doi:10.1088/0953-8984/21/18/185001
LibreCat | DOI
 
[342]
2009 | Journal Article | LibreCat-ID: 13664
Lange B, Posner R, Pohl K, et al. Water adsorption on hydrogenated Si(111) surfaces. Surface Science. 2009;603:60-64. doi:10.1016/j.susc.2008.10.030
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[341]
2009 | Journal Article | LibreCat-ID: 13665
Landmann M, Rauls E, Schmidt WG. First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen. Physical Review B. 2009;79(4). doi:10.1103/physrevb.79.045412
LibreCat | DOI
 
[340]
2009 | Journal Article | LibreCat-ID: 13844
Savchenko DV, Pöppl A, Kalabukhova EN, et al. Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC. Materials Science Forum. 2009;615-617:343-346. doi:10.4028/www.scientific.net/msf.615-617.343
LibreCat | DOI
 
[339]
2008 | Journal Article | LibreCat-ID: 13663
Wippermann S, Schmidt WG. Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array. Surface Science. 2008;603:247-250. doi:10.1016/j.susc.2008.11.013
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[338]
2008 | Journal Article | LibreCat-ID: 13666
Wippermann S, Schmidt WG. Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles. Physical Review B. 2008;78(23). doi:10.1103/physrevb.78.235439
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[337]
2008 | Journal Article | LibreCat-ID: 13668
Rauls E, Schmidt WG. Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110). Journal of Physical Chemistry C. 2008;112:11490-11494. doi:10.1021/jp8037297
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[336]
2008 | Journal Article | LibreCat-ID: 13669
Rauls E, Dijkstra SJ, Schmidt WG. Atomic structure and energetics of thec-GaN(001) surface. Physical Review B. 2008;78(11). doi:10.1103/physrevb.78.113302
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[335]
2008 | Journal Article | LibreCat-ID: 13670
Rauls E, Blankenburg S, Schmidt WG. DFT calculations of adenine adsorption on coin metal (110) surfaces. Surface Science. 2008;602:2170-2174. doi:10.1016/j.susc.2008.04.029
LibreCat | DOI
 
[334]
2008 | Journal Article | LibreCat-ID: 13671
Hermann A, Schmidt WG, Schwerdtfeger P. Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects. Physical Review Letters. 2008;100(20). doi:10.1103/physrevlett.100.207403
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[333]
2008 | Journal Article | LibreCat-ID: 13672
Hermann A, Schwerdtfeger P, Schmidt WG. Theoretical study of the localization of excess electrons at the surface of ice. Journal of Physics: Condensed Matter. 2008;20. doi:10.1088/0953-8984/20/22/225003
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[332]
2008 | Journal Article | LibreCat-ID: 13673
Rakel M, Cobet C, Esser N, et al. GaN and InN conduction-band states studied by ellipsometry. Physical Review B. 2008;77(11). doi:10.1103/physrevb.77.115120
LibreCat | DOI
 
[331]
2008 | Journal Article | LibreCat-ID: 13674
Wippermann S, Koch N, Schmidt WG. Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects. Physical Review Letters. 2008;100(10). doi:10.1103/physrevlett.100.106802
LibreCat | DOI
 
[330]
2008 | Journal Article | LibreCat-ID: 13675
Lange B, Schmidt WG. Ammonia adsorption on Cl/Si(001): First-principles calculations. Surface Science. 2008;602:1207-1211. doi:10.1016/j.susc.2008.01.024
LibreCat | DOI
 
[329]
2008 | Journal Article | LibreCat-ID: 13676
Schmidt WG, Albrecht M, Wippermann S, et al. LiNbO3ground- and excited-state properties from first-principles calculations. Physical Review B. 2008;77. doi:10.1103/physrevb.77.035106
LibreCat | DOI
 
[328]
2007 | Journal Article | LibreCat-ID: 13677
Thierfelder C, Schmidt WG. Ethanol adsorbed on ice: A first-principles study. Physical Review B. 2007;76(19). doi:10.1103/physrevb.76.195426
LibreCat | DOI
 
[327]
2007 | Journal Article | LibreCat-ID: 13678
Blankenburg S, Schmidt WG. Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer. Physical Review Letters. 2007;99(19). doi:10.1103/physrevlett.99.196107
LibreCat | DOI
 
[326]
2007 | Journal Article | LibreCat-ID: 13680
Blankenburg S, Schmidt WG. Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110). Nanotechnology. 2007;18. doi:10.1088/0957-4484/18/42/424030
LibreCat | DOI
 
[325]
2007 | Journal Article | LibreCat-ID: 13681
Wippermann S, Schmidt WG, Calzolari A, et al. Quantum conductance of In nanowires on Si(111) from first principles calculations. Surface Science. 2007:4045-4047. doi:10.1016/j.susc.2007.04.053
LibreCat | DOI
 
[324]
2007 | Journal Article | LibreCat-ID: 13682
Bernholc J, Lu W, Nakhmanson SM, et al. Atomic scale design of nanostructures. Molecular Physics. 2007:147-156. doi:10.1080/00268970701189186
LibreCat | DOI
 
[323]
2007 | Journal Article | LibreCat-ID: 13683
Stekolnikov AA, Seino K, Bechstedt F, et al. Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance. Physical Review Letters. 2007;98(2). doi:10.1103/physrevlett.98.026105
LibreCat | DOI
 
[322]
2006 | Journal Article | LibreCat-ID: 13684
Letzig T, Willig F, Hahn PH, Schmidt WG. Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface. Physical Review B. 2006;74(24). doi:10.1103/physrevb.74.245307
LibreCat | DOI
 
[321]
2006 | Journal Article | LibreCat-ID: 13685
Preuss M, Bechstedt F, Schmidt WG, Sochos J, Schröter B, Richter W. 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. 2006;74(23). doi:10.1103/physrevb.74.235406
LibreCat | DOI
 
[320]
2006 | Journal Article | LibreCat-ID: 13686
Schmidt WG, Seino K, Preuss M, Hermann A, Ortmann F, Bechstedt F. Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction. Applied Physics A. 2006;85:387-397. doi:10.1007/s00339-006-3691-0
LibreCat | DOI
 
[319]
2006 | Journal Article | LibreCat-ID: 13688
Blankenburg S, Schmidt WG. Adsorption of phenylglycine on copper: Density functional calculations. Physical Review B. 2006;74(15). doi:10.1103/physrevb.74.155419
LibreCat | DOI
 
[318]
2006 | Journal Article | LibreCat-ID: 13689
Preuss M, Miotto R, Bechstedt F, Rada T, Richardson NV, Schmidt WG. Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS. Physical Review B. 2006;74(11). doi:10.1103/physrevb.74.115402
LibreCat | DOI
 
[317]
2006 | Journal Article | LibreCat-ID: 13690
Thierfelder C, Hermann A, Schwerdtfeger P, Schmidt WG. Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations. Physical Review B. 2006;74(4). doi:10.1103/physrevb.74.045422
LibreCat | DOI
 
[316]
2006 | Journal Article | LibreCat-ID: 13691
Biering S, Hermann A, Schmidt WG. Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions. Physical Review B. 2006;73(23). doi:10.1103/physrevb.73.235429
LibreCat | DOI
 
[315]
2006 | Journal Article | LibreCat-ID: 13692
Schmidt WG, Hermann A, Fuchs F, Bechstedt F. Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation. Current Applied Physics. 2006;6:525-530. doi:10.1016/j.cap.2005.11.069
LibreCat | DOI
 
[314]
2006 | Journal Article | LibreCat-ID: 13693
Schmidt WG, Seino K. Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping. Current Applied Physics. 2006;6:331-333. doi:10.1016/j.cap.2005.11.012
LibreCat | DOI
 
[313]
2006 | Journal Article | LibreCat-ID: 13694
Seino K, Schmidt WG, Ohtake A. Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions. Physical Review B. 2006;73(3). doi:10.1103/physrevb.73.035317
LibreCat | DOI
 
[312]
2006 | Journal Article | LibreCat-ID: 13695
Hahn PH, Schmidt WG, Bechstedt F. Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics. Physical Review B. 2006;72(24). doi:10.1103/physrevb.72.245425
LibreCat | DOI
 
[311]
2006 | Journal Article | LibreCat-ID: 13845
Ortmann F, Bechstedt F, Schmidt WG. Semiempirical van der Waals correction to the density functional description of solids and molecular structures. Physical Review B. 2006;73(20). doi:10.1103/physrevb.73.205101
LibreCat | DOI
 
[310]
2005 | Journal Article | LibreCat-ID: 13696
Bechstedt F, Seino K, Hahn PH, Schmidt WG. Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl. Physical Review B. 2005;72(24). doi:10.1103/physrevb.72.245114
LibreCat | DOI
 
[309]
2005 | Journal Article | LibreCat-ID: 13697
Ortmann F, Schmidt WG, Bechstedt F. Attracted by Long-Range Electron Correlation: Adenine on Graphite. Physical Review Letters. 2005;95(18). doi:10.1103/physrevlett.95.186101
LibreCat | DOI
 
[308]
2005 | Journal Article | LibreCat-ID: 13698
Schmidt WG. Calculation of reflectance anisotropy for semiconductor surface exploration. physica status solidi (b). 2005;242(13):2751-2764. doi:10.1002/pssb.200541112
LibreCat | DOI
 
[307]
2005 | Journal Article | LibreCat-ID: 13699
Hahn PH, Seino K, Schmidt WG, Furthmüller J, Bechstedt F. Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN. physica status solidi (b). 2005;242(13):2720-2728. doi:10.1002/pssb.200541128
LibreCat | DOI
 
[306]
2005 | Journal Article | LibreCat-ID: 13700
Esser N, Rakel M, Cobet C, Schmidt WG, Braun W, Cardona M. VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations. physica status solidi (b). 2005;242(13):2601-2609. doi:10.1002/pssb.200541315
LibreCat | DOI
 
[305]
2005 | Journal Article | LibreCat-ID: 13701
Fuchs F, Schmidt WG, Bechstedt F. Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations. The Journal of Physical Chemistry B. 2005;109:17649-17653. doi:10.1021/jp0501087
LibreCat | DOI
 
[304]
2005 | Journal Article | LibreCat-ID: 13702
Fuchs F, Schmidt WG, Bechstedt F. Understanding the optical anisotropy of oxidized Si(001) surfaces. Physical Review B. 2005;72(7). doi:10.1103/physrevb.72.075353
LibreCat | DOI
 
[303]
2005 | Journal Article | LibreCat-ID: 13703
Preuss M, Schmidt WG, Bechstedt F. Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110). Physical Review Letters. 2005;94. doi:10.1103/physrevlett.94.236102
LibreCat | DOI
 
[302]
2005 | Journal Article | LibreCat-ID: 13704
Seino K, Schmidt WG. Conformation-selective adsorption of 2,3-butanediol on Si(001). Surface Science. 2005:191-196. doi:10.1016/j.susc.2005.04.029
LibreCat | DOI
 
[301]
2005 | Journal Article | LibreCat-ID: 13705
Leitsmann R, Schmidt WG, Hahn PH, Bechstedt F. Second-harmonic polarizability including electron-hole attraction from band-structure theory. Physical Review B. 2005;71. doi:10.1103/physrevb.71.195209
LibreCat | DOI
 
[300]
2005 | Journal Article | LibreCat-ID: 13706
Hermann A, Schmidt WG, Bechstedt F. Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study. Physical Review B. 2005;71. doi:10.1103/physrevb.71.153311
LibreCat | DOI
 
[299]
2005 | Journal Article | LibreCat-ID: 13707
Hermann A, Schmidt WG, Bechstedt F. Phenanthrenequinone Adsorbed on Si(001):  Geometries, Electronic Properties, and Optical Response. The Journal of Physical Chemistry B. 2005;109:7928-7933. doi:10.1021/jp0500182
LibreCat | DOI
 
[298]
2005 | Journal Article | LibreCat-ID: 13709
Hahn PH, Schmidt WG, Seino K, Preuss M, Bechstedt F, Bernholc J. Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding. Physical Review Letters. 2005;94:037404. doi:10.1103/physrevlett.94.037404
LibreCat | DOI
 
[297]
2005 | Journal Article | LibreCat-ID: 13846
Hahn PH, Schmidt WG, Bechstedt F. Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics. Physical Review B. 2005;72(24). doi:10.1103/physrevb.72.245425
LibreCat | DOI
 
[296]
2004 | Journal Article | LibreCat-ID: 13710
Ohtake A, Kocán P, Seino K, Schmidt WG, Koguchi N. Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase. Physical Review Letters. 2004;93:266101. doi:10.1103/physrevlett.93.266101
LibreCat | DOI
 
[295]
2004 | Journal Article | LibreCat-ID: 13711
Seino K, Schmidt WG. H2O on Si(001): surface optical anisotropy from first-principles calculations. Surface Science. 2004;571(157):157-160. doi:10.1016/j.susc.2004.08.012
LibreCat | DOI
 
[294]
2004 | Journal Article | LibreCat-ID: 13712
Schmidt WG, Fuchs F, Hermann A, et al. Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions. Journal of Physics: Condensed Matter. 2004;16:S4323-S4334. doi:10.1088/0953-8984/16/39/007
LibreCat | DOI
 
[293]
2004 | Journal Article | LibreCat-ID: 13713
Palummo M, Pulci O, Sole RD, et al. The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra. Journal of Physics: Condensed Matter. 2004;16:S4313-S4322. doi:10.1088/0953-8984/16/39/006
LibreCat | DOI
 
[292]
2004 | Journal Article | LibreCat-ID: 13715
Preuss M, Schmidt WG, Seino K, Bechstedt F. Methylchloride adsorbed on Si(001): an ab initio study. Applied Surface Science. 2004;234:155-161. doi:10.1016/j.apsusc.2004.05.041
LibreCat | DOI
 
[291]
2004 | Journal Article | LibreCat-ID: 13716
Fleischer K, Chandola S, Esser N, et al. Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy. Applied Surface Science. 2004;234:302-306. doi:10.1016/j.apsusc.2004.05.114
LibreCat | DOI
 
[290]
2004 | Journal Article | LibreCat-ID: 13717
Seino K, Schmidt WG, Bechstedt F. Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection. Physical Review Letters. 2004;93(3). doi:10.1103/physrevlett.93.036101
LibreCat | DOI
 
[289]
2004 | Journal Article | LibreCat-ID: 13718
Preuss M, Schmidt WG, Bechstedt F. Methyl Chloride Adsorption on Si(001)−Electronic Structure. The Journal of Physical Chemistry B. 2004;108:7809-7813. doi:10.1021/jp049661z
LibreCat | DOI
 
[288]
2004 | Journal Article | LibreCat-ID: 13719
Seino K, Schmidt WG, Bechstedt F. Organic modification of surface electronic properties: A first-principles study of uracil on Si(001). Physical Review B. 2004;69:245309. doi:10.1103/physrevb.69.245309
LibreCat | DOI
 
[287]
2004 | Journal Article | LibreCat-ID: 13720
Schmidt WG, Seino K, Hahn PH, et al. Calculation of surface optical properties: from qualitative understanding to quantitative predictions. Thin Solid Films. 2004;455-456:764-771. doi:10.1016/j.tsf.2003.11.263
LibreCat | DOI
 
[286]
2004 | Journal Article | LibreCat-ID: 13721
Seino K, Schmidt WG. Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions. Surface Science. 2004;548:183-186. doi:10.1016/j.susc.2003.11.002
LibreCat | DOI
 
[285]
2004 | Journal Article | LibreCat-ID: 13722
Preuss M, Schmidt WG, Seino K, Furthmüller J, Bechstedt F. Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials. Journal of Computational Chemistry. 2004;25(1):112-122. doi:10.1002/jcc.10372
LibreCat | DOI
 
[284]
2004 | Journal Article | LibreCat-ID: 4272
Zeiser A, Bücking N, Götte J, et al. Dynamics of the phonon-induced electron transfer between semiconductor bulk and surface states. physica status solidi (b). 2004;241(12):R60-R62. doi:10.1002/pssb.200409060
LibreCat | Files available | DOI
 
[283]
2003 | Journal Article | LibreCat-ID: 13723
Bechstedt F, Del Sole R, Glutsch S, Hahn PH, Pulci O, Schmidt WG. Many-body and overlayer effects on surface optical properties. physica status solidi (b). 2003;240(3):469-479. doi:10.1002/pssb.200303827
LibreCat | DOI
 
[282]
2003 | Journal Article | LibreCat-ID: 13724
Pristovsek M, Tsukamoto S, Ohtake A, et al. Gallium-rich reconstructions on GaAs(001). physica status solidi (b). 2003;240(1):91-98. doi:10.1002/pssb.200301885
LibreCat | DOI
 
[281]
2003 | Journal Article | LibreCat-ID: 13725
Lu W, Schmidt WG, Bernholc J. Cycloaddition reaction versus dimer cleavage at theSi(001):C5H8interface. Physical Review B. 2003;68:115327. doi:10.1103/physrevb.68.115327
LibreCat | DOI
 
[280]
2003 | Journal Article | LibreCat-ID: 13726
Castillo C, Mendoza BS, Schmidt WG, Hahn PH, Bechstedt F. Layer-by-layer analysis of surface reflectance anisotropy in semiconductors. Physical Review B. 2003;68:041310(R). doi:10.1103/physrevb.68.041310
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[279]
2003 | Journal Article | LibreCat-ID: 13727
Wang S, Lu W, Schmidt WG, Bernholc J. Nanowire-induced optical anisotropy of the Si(111)-In surface. Physical Review B. 2003;68:035329. doi:10.1103/physrevb.68.035329
LibreCat | DOI
 
[278]
2003 | Journal Article | LibreCat-ID: 13728
Hahn PH, Schmidt WG, Bechstedt F, Pulci O, Del Sole R. P-richGaP(001)(2×1)/(2×2)surface:  A hydrogen-adsorbate structure determined from first-principles calculations. Physical Review B. 2003;68:033311. doi:10.1103/physrevb.68.033311
LibreCat | DOI
 
[277]
2003 | Journal Article | LibreCat-ID: 13729
Schmidt WG, Seino K. Pyrrole (C4H4NH) and Polypyrrole Functionalized  Silicon Surfaces Calculated from First Principles. Surface Review and Letters. 2003;10(2-3):221-226. doi:10.1142/s0218625x03004901
LibreCat | DOI
 
[276]
2003 | Journal Article | LibreCat-ID: 13730
Hahn PH, Schmidt WG. Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation. Surface Review and Letters. 2003;10(2-3):163-167. doi:10.1142/s0218625x03004913
LibreCat | DOI
 
[275]
2003 | Journal Article | LibreCat-ID: 13731
Seino K, Schmidt WG, Furthmüller J, Bechstedt F. Chemisorption of pyrrole (C4H4NH) on Si(001) calculated from first-principles. Surface Science. 2003;532-535:988-992. doi:10.1016/s0039-6028(03)00159-6
LibreCat | DOI
 
[274]
2003 | Journal Article | LibreCat-ID: 13732
Seino K, Schmidt WG, Preuss M, Bechstedt F. Uracil Adsorbed on Si(001):  Structure and Energetics. The Journal of Physical Chemistry B. 2003;107:5031-5035. doi:10.1021/jp0342531
LibreCat | DOI
 
[273]
2003 | Journal Article | LibreCat-ID: 13733
Schmidt WG, Hahn PH, Bechstedt F, et al. InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure. Physical Review Letters. 2003;90(12):126101. doi:10.1103/physrevlett.90.126101
LibreCat | DOI
 
[272]
2003 | Journal Article | LibreCat-ID: 13734
Schmidt WG, Glutsch S, Hahn PH, Bechstedt F. EfficientO(N2)method to solve the Bethe-Salpeter equation. Physical Review B. 2003;67:085307. doi:10.1103/physrevb.67.085307
LibreCat | DOI
 
[271]
2003 | Journal Article | LibreCat-ID: 13735
Seino K, Schmidt WG, Furthmüller J, Bechstedt F. Chemisorption of pyrrole and polypyrrole on Si(001). Physical Review B. 2003;66:235323. doi:10.1103/physrevb.66.235323
LibreCat | DOI
 
[270]
2002 | Journal Article | LibreCat-ID: 13736
Schmidt WG, Bechstedt F, Lu W, Bernholc J. Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001). Physical Review B. 2002;66:0855334. doi:10.1103/physrevb.66.085334
LibreCat | DOI
 
[269]
2002 | Journal Article | LibreCat-ID: 13737
Seino K, Schmidt WG, Bechstedt F, Bernholc J. Structure and energetics of Ga-rich GaAs() surfaces. Surface Science. 2002;507-510:406-410. doi:10.1016/s0039-6028(02)01278-5
LibreCat | DOI
 
[268]
2002 | Journal Article | LibreCat-ID: 13738
Schmidt WG, Bechstedt F, Bernholc J. GaAs(001) surface reconstructions: geometries, chemical bonding and optical properties. Applied Surface Science. 2002;190:264-268. doi:10.1016/s0169-4332(01)00862-5
LibreCat | DOI
 
[267]
2002 | Journal Article | LibreCat-ID: 13739
Schmidt WG. III-V compound semiconductor (001) surfaces. Applied Physics A: Materials Science & Processing. 2002;75:89-99. doi:10.1007/s003390101058
LibreCat | DOI
 
[266]
2002 | Journal Article | LibreCat-ID: 13740
Hahn PH, Schmidt WG, Bechstedt F. Bulk Excitonic Effects in Surface Optical Spectra. Physical Review Letters. 2002;88(1). doi:10.1103/physrevlett.88.016402
LibreCat | DOI
 
[265]
2002 | Journal Article | LibreCat-ID: 13741
Schmidt WG, Bechstedt F, Fleischer K, et al. GaAs(001): Surface Structure and Optical Properties. physica status solidi (a). 2002;188(4):1401-1409. doi:10.1002/1521-396x(200112)188:4<1401::aid-pssa1401>3.0.co;2-1
LibreCat | DOI
 
[264]
2002 | Journal Article | LibreCat-ID: 13742
Bechstedt F, Schmidt WG, Hahn PH. Towards a Complete Many-Body Description: Optical Response of Real Surfaces. physica status solidi (a). 2002;188(4):1383-1392. doi:10.1002/1521-396x(200112)188:4<1383::aid-pssa1383>3.0.co;2-g
LibreCat | DOI
 
[263]
2002 | Journal Article | LibreCat-ID: 13745
Onida G, Schmidt WG, Pulci O, et al. Theory for Modeling the Optical Properties of Surfaces. physica status solidi (a). 2002;188(4):1233-1242. doi:10.1002/1521-396x(200112)188:4<1233::aid-pssa1233>3.0.co;2-w
LibreCat | DOI
 
[262]
2002 | Journal Article | LibreCat-ID: 13749
Paget D, Garreau Y, Sauvage M, Chiaradia P, Pinchaux R, Schmidt WG. X-ray diffraction analysis of the gallium-rich surface of GaAs(001). Physical Review B. 2002;64:161305(R). doi:10.1103/physrevb.64.161305
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[261]
2002 | Journal Article | LibreCat-ID: 13750
Pulci O, Lüdge K, Vogt P, et al. First-principles study of InP and GaP(001) surfaces. Computational Materials Science. 2002:32-37. doi:10.1016/s0927-0256(01)00161-6
LibreCat | DOI
 
[260]
2002 | Journal Article | LibreCat-ID: 13754
Schmidt WG, Bechstedt F, Bernholc J. Terrace and step contributions to the optical anisotropy of Si(001) surfaces. Physical Review B. 2002;63:045322. doi:10.1103/physrevb.63.045322
LibreCat | DOI
 
[259]
2002 | Journal Article | LibreCat-ID: 13755
Lu W, Schmidt WG, Briggs EL, Bernholc J. Optical Anisotropy of theSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model. Physical Review Letters. 2002;85(20):4381-4384. doi:10.1103/physrevlett.85.4381
LibreCat | DOI
 
[258]
2001 | Journal Article | LibreCat-ID: 13751
Esser N, Schmidt WG, Cobet C, et al. Atomic structure and optical anisotropy of III–V(001) surfaces. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures. 2001;19(5). doi:10.1116/1.1394730
LibreCat | DOI
 
[257]
2001 | Journal Article | LibreCat-ID: 13753
Pulci O, Schmidt WG, Bechstedt F. Structure and Energetics of P-rich GaP(001) Surfaces. physica status solidi (a). 2001;184(1):105-110. doi:10.1002/1521-396x(200103)184:1<105::aid-pssa105>3.0.co;2-d
LibreCat | DOI
 
[256]
2001 | Journal Article | LibreCat-ID: 13847
Hingerl K, Balderas-Navarro R., Bonanni A, Tichopadek P, Schmidt WG. On the origin of resonance features in reflectance difference data of silicon. Applied Surface Science. 2001;175-176:769-776. doi:10.1016/s0169-4332(01)00114-3
LibreCat | DOI
 
[255]
2001 | Journal Article | LibreCat-ID: 13849
Schmidt WG, Bechstedt F, Bernholc J. Terrace and step contributions to the optical anisotropy of Si(001) surfaces. Physical Review B. 2001;63. doi:10.1103/physrevb.63.045322
LibreCat | DOI
 
[254]
2000 | Journal Article | LibreCat-ID: 13756
Pulci O, Lüdge K, Schmidt WG, Bechstedt F. First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces. Surface Science. 2000;464:272-282. doi:10.1016/s0039-6028(00)00729-9
LibreCat | DOI
 
[253]
2000 | Journal Article | LibreCat-ID: 13757
Schmidt WG, Bernholc J, Bechstedt F. (001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures. Applied Surface Science. 2000;166:179-184. doi:10.1016/s0169-4332(00)00406-2
LibreCat | DOI
 
[252]
2000 | Journal Article | LibreCat-ID: 13758
Frisch AM, Vogt P, Visbeck S, et al. Angle Resolved Photoemission Spectroscopy of the InP(001) surface. Applied Surface Science. 2000;166:224-230. doi:10.1016/s0169-4332(00)00431-1
LibreCat | DOI
 
[251]
2000 | Journal Article | LibreCat-ID: 13759
Schmidt WG, Mirbt S, Bechstedt F. Surface phase diagram of (2×4) and (4×2) reconstructions of GaAs(001). Physical Review B. 2000;62(12):8087-8091. doi:10.1103/physrevb.62.8087
LibreCat | DOI
 
[250]
2000 | Journal Article | LibreCat-ID: 13760
Schmidt WG, Esser N, Frisch AM, et al. Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum ofInP(001)(2×4). Physical Review B. 2000;61:R16335-R16338. doi:10.1103/physrevb.61.r16335
LibreCat | DOI
 
[249]
2000 | Journal Article | LibreCat-ID: 13761
Schmidt WG, Bechstedt F, Bernholc J. Understanding reflectance anisotropy: Surface-state signatures and bulk-related features. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures. 2000;18(4). doi:10.1116/1.1305289
LibreCat | DOI
 
[248]
2000 | Journal Article | LibreCat-ID: 13762
Schmidt WG, Bernholc J. Step-induced optical anisotropy of Si(111):H surfaces. Physical Review B. 2000;61(11):7604-7608. doi:10.1103/physrevb.61.7604
LibreCat | DOI
 
[247]
2000 | Book Chapter | LibreCat-ID: 13763
Bernholc J, Briggs EL, Bungaro C, 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. 217. physica status solidi (b); 2000:685-701. doi:10.1002/3527603107.ch33
LibreCat | DOI
 
[246]
1999 | Journal Article | LibreCat-ID: 13764
Bechstedt F, Adolph B, Schmidt WG. Ab initio calculation of linear and nonlinear optical properties of semiconductor structures. Brazilian Journal of Physics. 1999;29(4). doi:10.1590/s0103-97331999000400007
LibreCat | DOI
 
[245]
1999 | Journal Article | LibreCat-ID: 13765
Schmidt WG, FATTEBERT JL, BERNHOLC J, BECHSTEDT F. SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001). Surface Review and Letters. 1999;6(6):1159-1165. doi:10.1142/s0218625x99001281
LibreCat | DOI
 
[244]
1999 | Journal Article | LibreCat-ID: 13766
Bechstedt F, Pulci O, Schmidt WG. Theoretical Aspects of the Optical Response of Semiconductor Surfaces. physica status solidi (a). 1999;175(5):5-16. doi:10.1002/(sici)1521-396x(199909)175:1<5::aid-pssa5>3.0.co;2-9
LibreCat | DOI
 
[243]
1999 | Journal Article | LibreCat-ID: 13767
Esser N, Schmidt WG, Bernholc J, et al. GaP(001) and InP(001): Reflectance anisotropy and surface geometry. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures. 1999;17(4). doi:10.1116/1.590810
LibreCat | DOI
 
[242]
1999 | Journal Article | LibreCat-ID: 13768
Frisch AM, Schmidt WG, Bernholc J, Pristovsek M, Esser N, Richter W. (2×4)GaP(001) surface: Atomic structure and optical anisotropy. Physical Review B. 1999;60(4):2488-2494. doi:10.1103/physrevb.60.2488
LibreCat | DOI
 
[241]
1999 | Journal Article | LibreCat-ID: 13769
Schmidt WG, Briggs EL, Bernholc J, Bechstedt F. Structural fingerprints in the reflectance anisotropy spectra ofInP(001)(2×4)surfaces. Physical Review B. 1999;59(3):2234-2239. doi:10.1103/physrevb.59.2234
LibreCat | DOI
 
[240]
1998 | Journal Article | LibreCat-ID: 13771
Shkrebtii AI, Esser N, Richter W, et al. Reflectance Anisotropy of GaAs(100): Theory and Experiment. Physical Review Letters. 1998;81(3):721-724. doi:10.1103/physrevlett.81.721
LibreCat | DOI
 
[239]
1998 | Journal Article | LibreCat-ID: 13772
Schmidt WG, Bechstedt F. Geometry and electronic structure of InP(001)(2×4) reconstructions. Surface Science. 1998;409(3):474-484. doi:10.1016/s0039-6028(98)00260-x
LibreCat | DOI
 
[238]
1998 | Journal Article | LibreCat-ID: 13773
Schmidt WG, Bechstedt F, Esser N, Pristovsek M, Schultz C, Richter W. Atomic structure of InP(001)-(2×4): A dimer reconstruction. Physical Review B. 1998;57(23):14596-14599. doi:10.1103/physrevb.57.14596
LibreCat | DOI
 
[237]
1998 | Journal Article | LibreCat-ID: 13774
Schmidt WG, Käckell P, Bechstedt F. In-induced (4 × 2) reconstructions of GaAs(001) surfaces. Applied Surface Science. 1998;123-124:136-140. doi:10.1016/s0169-4332(97)00510-2
LibreCat | DOI
 
[236]
1997 | Journal Article | LibreCat-ID: 13859
Nilen RWN, Connell SH, Britton DT, et al. A High Resolution Investigation of the Anisotropic Electron-Positron Momentum Distribution in Diamond. Materials Science Forum. 1997;255-257:475-478. doi:10.4028/www.scientific.net/msf.255-257.475
LibreCat | DOI
 
[235]
1997 | Journal Article | LibreCat-ID: 13775
Schmidt WG. (4×2) and (2×4) reconstructions of GaAs and InP(001) surfaces. Applied Physics A: Materials Science & Processing. 1997;65:581-586. doi:10.1007/s003390050625
LibreCat | DOI
 
[234]
1997 | Journal Article | LibreCat-ID: 13776
Nilen RWN, Connell SH, Britton DT, et al. The anisotropic electron - positron momentum distribution in diamond. Journal of Physics: Condensed Matter. 1997;9:6323-6333. doi:10.1088/0953-8984/9/29/017
LibreCat | DOI
 
[233]
1997 | Journal Article | LibreCat-ID: 13777
Grossner U, Schmidt WG, Bechstedt F. As on InP(110) studied within density-functional theory. Physical Review B. 1997;56(11):6719-6726. doi:10.1103/physrevb.56.6719
LibreCat | DOI
 
[232]
1997 | Journal Article | LibreCat-ID: 13778
Großner U, Schmidt WG, Bechstedt F, Santos PV, Koopmans B, Esser N. Chemisorption of arsenic on InP(110). Surface Science. 1997;377-379:619-622. doi:10.1016/s0039-6028(96)01469-0
LibreCat | DOI
 
[231]
1997 | Journal Article | LibreCat-ID: 13779
Schmidt WG, Bechstedt F. Comparison of As-rich and Sb-terminated GaAs(100)(2 × 4) reconstructions. Surface Science. 1997;377-379:11-14. doi:10.1016/s0039-6028(96)01318-0
LibreCat | DOI
 
[230]
1997 | Journal Article | LibreCat-ID: 13780
Schmidt WG, Bechstedt F. Antimony-stabilized GaAs(001)(2×4) reconstructions. Physical Review B. 1997;55(19):13051-13057. doi:10.1103/physrevb.55.13051
LibreCat | DOI
 
[229]
1997 | Journal Article | LibreCat-ID: 13781
Nilen RWN, Connell SH, Schmidt WG, et al. Electron-positron momentum density distribution in diamond. Applied Surface Science. 1997;116:330-334. doi:10.1016/s0169-4332(96)01078-1
LibreCat | DOI
 
[228]
1996 | Journal Article | LibreCat-ID: 13782
Esser N, Shkrebtii AI, Resch-Esser U, et al. Atomic Structure of the Sb-Stabilized GaAs(100)-(2×4) Surface. Physical Review Letters. 1996;77(21):4402-4405. doi:10.1103/physrevlett.77.4402
LibreCat | DOI
 
[227]
1996 | Journal Article | LibreCat-ID: 13783
Schmidt WG, Bechstedt F. Geometry and electronic structure of GaAs(001)(2×4) reconstructions. Physical Review B. 1996;54(23):16742-16748. doi:10.1103/physrevb.54.16742
LibreCat | DOI
 
[226]
1996 | Journal Article | LibreCat-ID: 13784
Santos PV, Koopmans B, Esser N, Schmidt WG, Bechstedt F. Optical Properties of Ordered As Layers on InP(110) Surfaces. Physical Review Letters. 1996;77(4):759-762. doi:10.1103/physrevlett.77.759
LibreCat | DOI
 
[225]
1996 | Journal Article | LibreCat-ID: 13785
Schmidt WG, Bechstedt F. Atomic structures of GaAs(100)-(2 × 4) reconstructions. Surface Science. 1996;360(1):L473-L477. doi:10.1016/0039-6028(96)00728-5
LibreCat | DOI
 
[224]
1996 | Journal Article | LibreCat-ID: 13786
Bechstedt F, Schmidt WG, Scholze A. Adatoms and vacancies on the diamond(111) surface. Europhysics Letters (EPL). 1996;35(8):585-590. doi:10.1209/epl/i1996-00155-0
LibreCat | DOI
 
[223]
1996 | Journal Article | LibreCat-ID: 13788
Schmidt WG, Verwoerd W. Annihilation of delocalized positrons: a comparison of diamond and silicon. Physics Letters A. 1996;222(4):275-280. doi:10.1016/0375-9601(96)00653-6
LibreCat | DOI
 
[222]
1996 | Journal Article | LibreCat-ID: 13789
Scholze A, Schmidt WG, Bechstedt F. Structure of the diamond (111) surface: Single-dangling-bond versus triple-dangling-bond face. Physical Review B. 1996;53(20):13725-13733. doi:10.1103/physrevb.53.13725
LibreCat | DOI
 
[221]
1996 | Journal Article | LibreCat-ID: 13790
Schmidt WG, Käckell P, Bechstedt F. 3d core-level shifts at. Surface Science. 1996;357-358:545-549. doi:10.1016/0039-6028(96)00220-8
LibreCat | DOI
 
[220]
1996 | Journal Article | LibreCat-ID: 13791
Scholze A, Schmidt WG, Bechstedt F. Diamond (111) and (100) surface reconstructions. Thin Solid Films. 1996;281-282:256-259. doi:10.1016/0040-6090(96)08646-4
LibreCat | DOI
 
[219]
1996 | Journal Article | LibreCat-ID: 13792
Schmidt WG, Bechstedt F, Srivastava GP. Phonons at III–V (110) surfaces. Surface Science. 1996;352-354:83-88. doi:10.1016/0039-6028(95)01095-5
LibreCat | DOI
 
[218]
1996 | Journal Article | LibreCat-ID: 13793
Schmidt WG, Scholze A, Bechstedt F. Dimerized, buckled, or ideal chains on the diamond (111)2 × 1 surface? Surface Science. 1996;351:183-188. doi:10.1016/0039-6028(95)01270-2
LibreCat | DOI
 
[217]
1996 | Journal Article | LibreCat-ID: 13794
Käckell P, Schmidt WG, Bechstedt F. Se-induced 3d core-level shifts of GaAs(110). Applied Surface Science. 1996;104-105:141-146. doi:10.1016/s0169-4332(96)00135-3
LibreCat | DOI
 
[216]
1996 | Journal Article | LibreCat-ID: 13795
Scholze A, Schmidt WG, Käckell P, Bechstedt F. Diamond (111) and (100) surface: ab initio study of the atomic and electronic structure. Materials Science and Engineering: B. 1996;37(1-3):158-161. doi:10.1016/0921-5107(95)01477-2
LibreCat | DOI
 
[215]
1995 | Journal Article | LibreCat-ID: 13796
Santos PV, Esser N, Groenen J, Cardona M, Schmidt WG, Bechstedt F. Hydrogen interaction with Sb-terminated GaAs and InP (110) surfaces. Physical Review B. 1995;52(24):17379-17385. doi:10.1103/physrevb.52.17379
LibreCat | DOI
 
[214]
1995 | Journal Article | LibreCat-ID: 13797
Santos PV, Esser N, Cardona M, Schmidt WG, Bechstedt F. Optical properties of Sb-terminated GaAs and InP (110) surfaces. Physical Review B. 1995;52(16):12158-12167. doi:10.1103/physrevb.52.12158
LibreCat | DOI
 
[213]
1995 | Journal Article | LibreCat-ID: 13798
Schmidt WG, Bechstedt F, Srivastava GP. III-V(110) surface dynamics from anab initiofrozen-phonon approach. Physical Review B. 1995;52(3):2001-2007. doi:10.1103/physrevb.52.2001
LibreCat | DOI
 
[212]
1995 | Journal Article | LibreCat-ID: 13799
Schmidt WG, Bechstedt F. Se/GaAs(110): energetics and structure. Surface Science. 1995;331-333(Part A):557-563. doi:10.1016/0039-6028(95)00317-7
LibreCat | DOI
 
[211]
1995 | Journal Article | LibreCat-ID: 13800
Kress C, Fiedler M, Schmidt WG, Bechstedt F. Quasi-particle band structure of C(111)2 × 1 and C(100)2 × 1 surfaces. Surface Science. 1995;331-333:1152-1156. doi:10.1016/0039-6028(95)00160-3
LibreCat | DOI
 
[210]
1995 | Journal Article | LibreCat-ID: 13801
Schmidt WG, Srivastava GP. III-V(110)/Sb(1 ML): structural and dynamical properties. Surface Science. 1995;331-333(Part A):540-545. doi:10.1016/0039-6028(95)00304-5
LibreCat | DOI
 
[209]
1995 | Journal Article | LibreCat-ID: 13850
Kress C, Fiedler M, Schmidt WG, Bechstedt F. Geometrical and electronic structure of the reconstructed diamond (100) surface. Physical Review B. 1995;50(23):17697-17700. doi:10.1103/physrevb.50.17697
LibreCat | DOI
 
[208]
1995 | Journal Article | LibreCat-ID: 13851
Schmidt WG, Bechstedt F. Exchange reactions versus adsorption geometries for Se/GaAs(110). Physical Review B. 1995;50(23):17651-17654. doi:10.1103/physrevb.50.17651
LibreCat | DOI
 
[207]
1995 | Journal Article | LibreCat-ID: 13852
Schmidt WG, Bechstedt F. Se/GaAs(110): Atomic and electronic structure. Physical Review B. 1995;50(23):17280-17291. doi:10.1103/physrevb.50.17280
LibreCat | DOI
 
[206]
1994 | Journal Article | LibreCat-ID: 13853
Bechstedt F, Schmidt WG, Wenzien B. Energetics and Structure of Ordered Sb Overlayers and Sb Clusters on GaAs(110) Probed by Ab Initio Calculations. Europhysics Letters (EPL). 1994;25(5):357-362. doi:10.1209/0295-5075/25/5/008
LibreCat | DOI
 
[205]
1994 | Journal Article | LibreCat-ID: 13854
Schmidt WG, Srivastava G. First principles calculations of interface phonons of an Epitaxial Sb monolayer on GaAs(110) and InP(110). Solid State Communications. 1994;89(4):345-348. doi:10.1016/0038-1098(94)90597-5
LibreCat | DOI
 
[204]
1994 | Journal Article | LibreCat-ID: 13855
Schmidt WG, Wenzien B, Bechstedt F. Coverage-dependent bonding of Sb on GaAs (110). Surface Science. 1994;307-309(Part A):235-240. doi:10.1016/0039-6028(94)90400-6
LibreCat | DOI
 
[203]
1994 | Journal Article | LibreCat-ID: 13856
Schmidt WG, Wenzien B, Bechstedt F. Chemisorption of antimony on GaAs(110). Physical Review B. 1994;49(7):4731-4744. doi:10.1103/physrevb.49.4731
LibreCat | DOI
 
[202]
1993 | Journal Article | LibreCat-ID: 13857
Schmidt WG, Srivastava GP. Chemisorption of aluminium on GaAs(110). Journal of Physics: Condensed Matter. 1993;5(49):9025-9036. doi:10.1088/0953-8984/5/49/005
LibreCat | DOI
 
[201]
1993 | Journal Article | LibreCat-ID: 13858
Schmidt WG, Wenzien B, Bechstedt F. AB initio calculation of the atomic and electronic structure for Sb adsorbed on GaAs(110). Czechoslovak Journal of Physics. 1993;43(9-10):1003-1007. doi:10.1007/bf01595293
LibreCat | DOI
 
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[343]
2009 | Journal Article | LibreCat-ID: 13662
Blankenburg S, Schmidt WG. Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions. Journal of Physics: Condensed Matter. 2009;21. doi:10.1088/0953-8984/21/18/185001
LibreCat | DOI
 
[342]
2009 | Journal Article | LibreCat-ID: 13664
Lange B, Posner R, Pohl K, et al. Water adsorption on hydrogenated Si(111) surfaces. Surface Science. 2009;603:60-64. doi:10.1016/j.susc.2008.10.030
LibreCat | DOI
 
[341]
2009 | Journal Article | LibreCat-ID: 13665
Landmann M, Rauls E, Schmidt WG. First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen. Physical Review B. 2009;79(4). doi:10.1103/physrevb.79.045412
LibreCat | DOI
 
[340]
2009 | Journal Article | LibreCat-ID: 13844
Savchenko DV, Pöppl A, Kalabukhova EN, et al. Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC. Materials Science Forum. 2009;615-617:343-346. doi:10.4028/www.scientific.net/msf.615-617.343
LibreCat | DOI
 
[339]
2008 | Journal Article | LibreCat-ID: 13663
Wippermann S, Schmidt WG. Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array. Surface Science. 2008;603:247-250. doi:10.1016/j.susc.2008.11.013
LibreCat | DOI
 
[338]
2008 | Journal Article | LibreCat-ID: 13666
Wippermann S, Schmidt WG. Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles. Physical Review B. 2008;78(23). doi:10.1103/physrevb.78.235439
LibreCat | DOI
 
[337]
2008 | Journal Article | LibreCat-ID: 13668
Rauls E, Schmidt WG. Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110). Journal of Physical Chemistry C. 2008;112:11490-11494. doi:10.1021/jp8037297
LibreCat | DOI
 
[336]
2008 | Journal Article | LibreCat-ID: 13669
Rauls E, Dijkstra SJ, Schmidt WG. Atomic structure and energetics of thec-GaN(001) surface. Physical Review B. 2008;78(11). doi:10.1103/physrevb.78.113302
LibreCat | DOI
 
[335]
2008 | Journal Article | LibreCat-ID: 13670
Rauls E, Blankenburg S, Schmidt WG. DFT calculations of adenine adsorption on coin metal (110) surfaces. Surface Science. 2008;602:2170-2174. doi:10.1016/j.susc.2008.04.029
LibreCat | DOI
 
[334]
2008 | Journal Article | LibreCat-ID: 13671
Hermann A, Schmidt WG, Schwerdtfeger P. Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects. Physical Review Letters. 2008;100(20). doi:10.1103/physrevlett.100.207403
LibreCat | DOI
 
[333]
2008 | Journal Article | LibreCat-ID: 13672
Hermann A, Schwerdtfeger P, Schmidt WG. Theoretical study of the localization of excess electrons at the surface of ice. Journal of Physics: Condensed Matter. 2008;20. doi:10.1088/0953-8984/20/22/225003
LibreCat | DOI
 
[332]
2008 | Journal Article | LibreCat-ID: 13673
Rakel M, Cobet C, Esser N, et al. GaN and InN conduction-band states studied by ellipsometry. Physical Review B. 2008;77(11). doi:10.1103/physrevb.77.115120
LibreCat | DOI
 
[331]
2008 | Journal Article | LibreCat-ID: 13674
Wippermann S, Koch N, Schmidt WG. Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects. Physical Review Letters. 2008;100(10). doi:10.1103/physrevlett.100.106802
LibreCat | DOI
 
[330]
2008 | Journal Article | LibreCat-ID: 13675
Lange B, Schmidt WG. Ammonia adsorption on Cl/Si(001): First-principles calculations. Surface Science. 2008;602:1207-1211. doi:10.1016/j.susc.2008.01.024
LibreCat | DOI
 
[329]
2008 | Journal Article | LibreCat-ID: 13676
Schmidt WG, Albrecht M, Wippermann S, et al. LiNbO3ground- and excited-state properties from first-principles calculations. Physical Review B. 2008;77. doi:10.1103/physrevb.77.035106
LibreCat | DOI
 
[328]
2007 | Journal Article | LibreCat-ID: 13677
Thierfelder C, Schmidt WG. Ethanol adsorbed on ice: A first-principles study. Physical Review B. 2007;76(19). doi:10.1103/physrevb.76.195426
LibreCat | DOI
 
[327]
2007 | Journal Article | LibreCat-ID: 13678
Blankenburg S, Schmidt WG. Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer. Physical Review Letters. 2007;99(19). doi:10.1103/physrevlett.99.196107
LibreCat | DOI
 
[326]
2007 | Journal Article | LibreCat-ID: 13680
Blankenburg S, Schmidt WG. Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110). Nanotechnology. 2007;18. doi:10.1088/0957-4484/18/42/424030
LibreCat | DOI
 
[325]
2007 | Journal Article | LibreCat-ID: 13681
Wippermann S, Schmidt WG, Calzolari A, et al. Quantum conductance of In nanowires on Si(111) from first principles calculations. Surface Science. 2007:4045-4047. doi:10.1016/j.susc.2007.04.053
LibreCat | DOI
 
[324]
2007 | Journal Article | LibreCat-ID: 13682
Bernholc J, Lu W, Nakhmanson SM, et al. Atomic scale design of nanostructures. Molecular Physics. 2007:147-156. doi:10.1080/00268970701189186
LibreCat | DOI
 
[323]
2007 | Journal Article | LibreCat-ID: 13683
Stekolnikov AA, Seino K, Bechstedt F, et al. Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance. Physical Review Letters. 2007;98(2). doi:10.1103/physrevlett.98.026105
LibreCat | DOI
 
[322]
2006 | Journal Article | LibreCat-ID: 13684
Letzig T, Willig F, Hahn PH, Schmidt WG. Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface. Physical Review B. 2006;74(24). doi:10.1103/physrevb.74.245307
LibreCat | DOI
 
[321]
2006 | Journal Article | LibreCat-ID: 13685
Preuss M, Bechstedt F, Schmidt WG, Sochos J, Schröter B, Richter W. 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. 2006;74(23). doi:10.1103/physrevb.74.235406
LibreCat | DOI
 
[320]
2006 | Journal Article | LibreCat-ID: 13686
Schmidt WG, Seino K, Preuss M, Hermann A, Ortmann F, Bechstedt F. Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction. Applied Physics A. 2006;85:387-397. doi:10.1007/s00339-006-3691-0
LibreCat | DOI
 
[319]
2006 | Journal Article | LibreCat-ID: 13688
Blankenburg S, Schmidt WG. Adsorption of phenylglycine on copper: Density functional calculations. Physical Review B. 2006;74(15). doi:10.1103/physrevb.74.155419
LibreCat | DOI
 
[318]
2006 | Journal Article | LibreCat-ID: 13689
Preuss M, Miotto R, Bechstedt F, Rada T, Richardson NV, Schmidt WG. Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS. Physical Review B. 2006;74(11). doi:10.1103/physrevb.74.115402
LibreCat | DOI
 
[317]
2006 | Journal Article | LibreCat-ID: 13690
Thierfelder C, Hermann A, Schwerdtfeger P, Schmidt WG. Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations. Physical Review B. 2006;74(4). doi:10.1103/physrevb.74.045422
LibreCat | DOI
 
[316]
2006 | Journal Article | LibreCat-ID: 13691
Biering S, Hermann A, Schmidt WG. Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions. Physical Review B. 2006;73(23). doi:10.1103/physrevb.73.235429
LibreCat | DOI
 
[315]
2006 | Journal Article | LibreCat-ID: 13692
Schmidt WG, Hermann A, Fuchs F, Bechstedt F. Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation. Current Applied Physics. 2006;6:525-530. doi:10.1016/j.cap.2005.11.069
LibreCat | DOI
 
[314]
2006 | Journal Article | LibreCat-ID: 13693
Schmidt WG, Seino K. Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping. Current Applied Physics. 2006;6:331-333. doi:10.1016/j.cap.2005.11.012
LibreCat | DOI
 
[313]
2006 | Journal Article | LibreCat-ID: 13694
Seino K, Schmidt WG, Ohtake A. Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions. Physical Review B. 2006;73(3). doi:10.1103/physrevb.73.035317
LibreCat | DOI
 
[312]
2006 | Journal Article | LibreCat-ID: 13695
Hahn PH, Schmidt WG, Bechstedt F. Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics. Physical Review B. 2006;72(24). doi:10.1103/physrevb.72.245425
LibreCat | DOI
 
[311]
2006 | Journal Article | LibreCat-ID: 13845
Ortmann F, Bechstedt F, Schmidt WG. Semiempirical van der Waals correction to the density functional description of solids and molecular structures. Physical Review B. 2006;73(20). doi:10.1103/physrevb.73.205101
LibreCat | DOI
 
[310]
2005 | Journal Article | LibreCat-ID: 13696
Bechstedt F, Seino K, Hahn PH, Schmidt WG. Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl. Physical Review B. 2005;72(24). doi:10.1103/physrevb.72.245114
LibreCat | DOI
 
[309]
2005 | Journal Article | LibreCat-ID: 13697
Ortmann F, Schmidt WG, Bechstedt F. Attracted by Long-Range Electron Correlation: Adenine on Graphite. Physical Review Letters. 2005;95(18). doi:10.1103/physrevlett.95.186101
LibreCat | DOI
 
[308]
2005 | Journal Article | LibreCat-ID: 13698
Schmidt WG. Calculation of reflectance anisotropy for semiconductor surface exploration. physica status solidi (b). 2005;242(13):2751-2764. doi:10.1002/pssb.200541112
LibreCat | DOI
 
[307]
2005 | Journal Article | LibreCat-ID: 13699
Hahn PH, Seino K, Schmidt WG, Furthmüller J, Bechstedt F. Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN. physica status solidi (b). 2005;242(13):2720-2728. doi:10.1002/pssb.200541128
LibreCat | DOI
 
[306]
2005 | Journal Article | LibreCat-ID: 13700
Esser N, Rakel M, Cobet C, Schmidt WG, Braun W, Cardona M. VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations. physica status solidi (b). 2005;242(13):2601-2609. doi:10.1002/pssb.200541315
LibreCat | DOI
 
[305]
2005 | Journal Article | LibreCat-ID: 13701
Fuchs F, Schmidt WG, Bechstedt F. Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations. The Journal of Physical Chemistry B. 2005;109:17649-17653. doi:10.1021/jp0501087
LibreCat | DOI
 
[304]
2005 | Journal Article | LibreCat-ID: 13702
Fuchs F, Schmidt WG, Bechstedt F. Understanding the optical anisotropy of oxidized Si(001) surfaces. Physical Review B. 2005;72(7). doi:10.1103/physrevb.72.075353
LibreCat | DOI
 
[303]
2005 | Journal Article | LibreCat-ID: 13703
Preuss M, Schmidt WG, Bechstedt F. Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110). Physical Review Letters. 2005;94. doi:10.1103/physrevlett.94.236102
LibreCat | DOI
 
[302]
2005 | Journal Article | LibreCat-ID: 13704
Seino K, Schmidt WG. Conformation-selective adsorption of 2,3-butanediol on Si(001). Surface Science. 2005:191-196. doi:10.1016/j.susc.2005.04.029
LibreCat | DOI
 
[301]
2005 | Journal Article | LibreCat-ID: 13705
Leitsmann R, Schmidt WG, Hahn PH, Bechstedt F. Second-harmonic polarizability including electron-hole attraction from band-structure theory. Physical Review B. 2005;71. doi:10.1103/physrevb.71.195209
LibreCat | DOI
 
[300]
2005 | Journal Article | LibreCat-ID: 13706
Hermann A, Schmidt WG, Bechstedt F. Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study. Physical Review B. 2005;71. doi:10.1103/physrevb.71.153311
LibreCat | DOI
 
[299]
2005 | Journal Article | LibreCat-ID: 13707
Hermann A, Schmidt WG, Bechstedt F. Phenanthrenequinone Adsorbed on Si(001):  Geometries, Electronic Properties, and Optical Response. The Journal of Physical Chemistry B. 2005;109:7928-7933. doi:10.1021/jp0500182
LibreCat | DOI
 
[298]
2005 | Journal Article | LibreCat-ID: 13709
Hahn PH, Schmidt WG, Seino K, Preuss M, Bechstedt F, Bernholc J. Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding. Physical Review Letters. 2005;94:037404. doi:10.1103/physrevlett.94.037404
LibreCat | DOI
 
[297]
2005 | Journal Article | LibreCat-ID: 13846
Hahn PH, Schmidt WG, Bechstedt F. Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics. Physical Review B. 2005;72(24). doi:10.1103/physrevb.72.245425
LibreCat | DOI
 
[296]
2004 | Journal Article | LibreCat-ID: 13710
Ohtake A, Kocán P, Seino K, Schmidt WG, Koguchi N. Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase. Physical Review Letters. 2004;93:266101. doi:10.1103/physrevlett.93.266101
LibreCat | DOI
 
[295]
2004 | Journal Article | LibreCat-ID: 13711
Seino K, Schmidt WG. H2O on Si(001): surface optical anisotropy from first-principles calculations. Surface Science. 2004;571(157):157-160. doi:10.1016/j.susc.2004.08.012
LibreCat | DOI
 
[294]
2004 | Journal Article | LibreCat-ID: 13712
Schmidt WG, Fuchs F, Hermann A, et al. Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions. Journal of Physics: Condensed Matter. 2004;16:S4323-S4334. doi:10.1088/0953-8984/16/39/007
LibreCat | DOI
 
[293]
2004 | Journal Article | LibreCat-ID: 13713
Palummo M, Pulci O, Sole RD, et al. The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra. Journal of Physics: Condensed Matter. 2004;16:S4313-S4322. doi:10.1088/0953-8984/16/39/006
LibreCat | DOI
 
[292]
2004 | Journal Article | LibreCat-ID: 13715
Preuss M, Schmidt WG, Seino K, Bechstedt F. Methylchloride adsorbed on Si(001): an ab initio study. Applied Surface Science. 2004;234:155-161. doi:10.1016/j.apsusc.2004.05.041
LibreCat | DOI
 
[291]
2004 | Journal Article | LibreCat-ID: 13716
Fleischer K, Chandola S, Esser N, et al. Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy. Applied Surface Science. 2004;234:302-306. doi:10.1016/j.apsusc.2004.05.114
LibreCat | DOI
 
[290]
2004 | Journal Article | LibreCat-ID: 13717
Seino K, Schmidt WG, Bechstedt F. Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection. Physical Review Letters. 2004;93(3). doi:10.1103/physrevlett.93.036101
LibreCat | DOI
 
[289]
2004 | Journal Article | LibreCat-ID: 13718
Preuss M, Schmidt WG, Bechstedt F. Methyl Chloride Adsorption on Si(001)−Electronic Structure. The Journal of Physical Chemistry B. 2004;108:7809-7813. doi:10.1021/jp049661z
LibreCat | DOI
 
[288]
2004 | Journal Article | LibreCat-ID: 13719
Seino K, Schmidt WG, Bechstedt F. Organic modification of surface electronic properties: A first-principles study of uracil on Si(001). Physical Review B. 2004;69:245309. doi:10.1103/physrevb.69.245309
LibreCat | DOI
 
[287]
2004 | Journal Article | LibreCat-ID: 13720
Schmidt WG, Seino K, Hahn PH, et al. Calculation of surface optical properties: from qualitative understanding to quantitative predictions. Thin Solid Films. 2004;455-456:764-771. doi:10.1016/j.tsf.2003.11.263
LibreCat | DOI
 
[286]
2004 | Journal Article | LibreCat-ID: 13721
Seino K, Schmidt WG. Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions. Surface Science. 2004;548:183-186. doi:10.1016/j.susc.2003.11.002
LibreCat | DOI
 
[285]
2004 | Journal Article | LibreCat-ID: 13722
Preuss M, Schmidt WG, Seino K, Furthmüller J, Bechstedt F. Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials. Journal of Computational Chemistry. 2004;25(1):112-122. doi:10.1002/jcc.10372
LibreCat | DOI
 
[284]
2004 | Journal Article | LibreCat-ID: 4272
Zeiser A, Bücking N, Götte J, et al. Dynamics of the phonon-induced electron transfer between semiconductor bulk and surface states. physica status solidi (b). 2004;241(12):R60-R62. doi:10.1002/pssb.200409060
LibreCat | Files available | DOI
 
[283]
2003 | Journal Article | LibreCat-ID: 13723
Bechstedt F, Del Sole R, Glutsch S, Hahn PH, Pulci O, Schmidt WG. Many-body and overlayer effects on surface optical properties. physica status solidi (b). 2003;240(3):469-479. doi:10.1002/pssb.200303827
LibreCat | DOI
 
[282]
2003 | Journal Article | LibreCat-ID: 13724
Pristovsek M, Tsukamoto S, Ohtake A, et al. Gallium-rich reconstructions on GaAs(001). physica status solidi (b). 2003;240(1):91-98. doi:10.1002/pssb.200301885
LibreCat | DOI
 
[281]
2003 | Journal Article | LibreCat-ID: 13725
Lu W, Schmidt WG, Bernholc J. Cycloaddition reaction versus dimer cleavage at theSi(001):C5H8interface. Physical Review B. 2003;68:115327. doi:10.1103/physrevb.68.115327
LibreCat | DOI
 
[280]
2003 | Journal Article | LibreCat-ID: 13726
Castillo C, Mendoza BS, Schmidt WG, Hahn PH, Bechstedt F. Layer-by-layer analysis of surface reflectance anisotropy in semiconductors. Physical Review B. 2003;68:041310(R). doi:10.1103/physrevb.68.041310
LibreCat | DOI
 
[279]
2003 | Journal Article | LibreCat-ID: 13727
Wang S, Lu W, Schmidt WG, Bernholc J. Nanowire-induced optical anisotropy of the Si(111)-In surface. Physical Review B. 2003;68:035329. doi:10.1103/physrevb.68.035329
LibreCat | DOI
 
[278]
2003 | Journal Article | LibreCat-ID: 13728
Hahn PH, Schmidt WG, Bechstedt F, Pulci O, Del Sole R. P-richGaP(001)(2×1)/(2×2)surface:  A hydrogen-adsorbate structure determined from first-principles calculations. Physical Review B. 2003;68:033311. doi:10.1103/physrevb.68.033311
LibreCat | DOI
 
[277]
2003 | Journal Article | LibreCat-ID: 13729
Schmidt WG, Seino K. Pyrrole (C4H4NH) and Polypyrrole Functionalized  Silicon Surfaces Calculated from First Principles. Surface Review and Letters. 2003;10(2-3):221-226. doi:10.1142/s0218625x03004901
LibreCat | DOI
 
[276]
2003 | Journal Article | LibreCat-ID: 13730
Hahn PH, Schmidt WG. Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation. Surface Review and Letters. 2003;10(2-3):163-167. doi:10.1142/s0218625x03004913
LibreCat | DOI
 
[275]
2003 | Journal Article | LibreCat-ID: 13731
Seino K, Schmidt WG, Furthmüller J, Bechstedt F. Chemisorption of pyrrole (C4H4NH) on Si(001) calculated from first-principles. Surface Science. 2003;532-535:988-992. doi:10.1016/s0039-6028(03)00159-6
LibreCat | DOI
 
[274]
2003 | Journal Article | LibreCat-ID: 13732
Seino K, Schmidt WG, Preuss M, Bechstedt F. Uracil Adsorbed on Si(001):  Structure and Energetics. The Journal of Physical Chemistry B. 2003;107:5031-5035. doi:10.1021/jp0342531
LibreCat | DOI
 
[273]
2003 | Journal Article | LibreCat-ID: 13733
Schmidt WG, Hahn PH, Bechstedt F, et al. InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure. Physical Review Letters. 2003;90(12):126101. doi:10.1103/physrevlett.90.126101
LibreCat | DOI
 
[272]
2003 | Journal Article | LibreCat-ID: 13734
Schmidt WG, Glutsch S, Hahn PH, Bechstedt F. EfficientO(N2)method to solve the Bethe-Salpeter equation. Physical Review B. 2003;67:085307. doi:10.1103/physrevb.67.085307
LibreCat | DOI
 
[271]
2003 | Journal Article | LibreCat-ID: 13735
Seino K, Schmidt WG, Furthmüller J, Bechstedt F. Chemisorption of pyrrole and polypyrrole on Si(001). Physical Review B. 2003;66:235323. doi:10.1103/physrevb.66.235323
LibreCat | DOI
 
[270]
2002 | Journal Article | LibreCat-ID: 13736
Schmidt WG, Bechstedt F, Lu W, Bernholc J. Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001). Physical Review B. 2002;66:0855334. doi:10.1103/physrevb.66.085334
LibreCat | DOI
 
[269]
2002 | Journal Article | LibreCat-ID: 13737
Seino K, Schmidt WG, Bechstedt F, Bernholc J. Structure and energetics of Ga-rich GaAs() surfaces. Surface Science. 2002;507-510:406-410. doi:10.1016/s0039-6028(02)01278-5
LibreCat | DOI
 
[268]
2002 | Journal Article | LibreCat-ID: 13738
Schmidt WG, Bechstedt F, Bernholc J. GaAs(001) surface reconstructions: geometries, chemical bonding and optical properties. Applied Surface Science. 2002;190:264-268. doi:10.1016/s0169-4332(01)00862-5
LibreCat | DOI
 
[267]
2002 | Journal Article | LibreCat-ID: 13739
Schmidt WG. III-V compound semiconductor (001) surfaces. Applied Physics A: Materials Science & Processing. 2002;75:89-99. doi:10.1007/s003390101058
LibreCat | DOI
 
[266]
2002 | Journal Article | LibreCat-ID: 13740
Hahn PH, Schmidt WG, Bechstedt F. Bulk Excitonic Effects in Surface Optical Spectra. Physical Review Letters. 2002;88(1). doi:10.1103/physrevlett.88.016402
LibreCat | DOI
 
[265]
2002 | Journal Article | LibreCat-ID: 13741
Schmidt WG, Bechstedt F, Fleischer K, et al. GaAs(001): Surface Structure and Optical Properties. physica status solidi (a). 2002;188(4):1401-1409. doi:10.1002/1521-396x(200112)188:4<1401::aid-pssa1401>3.0.co;2-1
LibreCat | DOI
 
[264]
2002 | Journal Article | LibreCat-ID: 13742
Bechstedt F, Schmidt WG, Hahn PH. Towards a Complete Many-Body Description: Optical Response of Real Surfaces. physica status solidi (a). 2002;188(4):1383-1392. doi:10.1002/1521-396x(200112)188:4<1383::aid-pssa1383>3.0.co;2-g
LibreCat | DOI
 
[263]
2002 | Journal Article | LibreCat-ID: 13745
Onida G, Schmidt WG, Pulci O, et al. Theory for Modeling the Optical Properties of Surfaces. physica status solidi (a). 2002;188(4):1233-1242. doi:10.1002/1521-396x(200112)188:4<1233::aid-pssa1233>3.0.co;2-w
LibreCat | DOI
 
[262]
2002 | Journal Article | LibreCat-ID: 13749
Paget D, Garreau Y, Sauvage M, Chiaradia P, Pinchaux R, Schmidt WG. X-ray diffraction analysis of the gallium-rich surface of GaAs(001). Physical Review B. 2002;64:161305(R). doi:10.1103/physrevb.64.161305
LibreCat | DOI
 
[261]
2002 | Journal Article | LibreCat-ID: 13750
Pulci O, Lüdge K, Vogt P, et al. First-principles study of InP and GaP(001) surfaces. Computational Materials Science. 2002:32-37. doi:10.1016/s0927-0256(01)00161-6
LibreCat | DOI
 
[260]
2002 | Journal Article | LibreCat-ID: 13754
Schmidt WG, Bechstedt F, Bernholc J. Terrace and step contributions to the optical anisotropy of Si(001) surfaces. Physical Review B. 2002;63:045322. doi:10.1103/physrevb.63.045322
LibreCat | DOI
 
[259]
2002 | Journal Article | LibreCat-ID: 13755
Lu W, Schmidt WG, Briggs EL, Bernholc J. Optical Anisotropy of theSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model. Physical Review Letters. 2002;85(20):4381-4384. doi:10.1103/physrevlett.85.4381
LibreCat | DOI
 
[258]
2001 | Journal Article | LibreCat-ID: 13751
Esser N, Schmidt WG, Cobet C, et al. Atomic structure and optical anisotropy of III–V(001) surfaces. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures. 2001;19(5). doi:10.1116/1.1394730
LibreCat | DOI
 
[257]
2001 | Journal Article | LibreCat-ID: 13753
Pulci O, Schmidt WG, Bechstedt F. Structure and Energetics of P-rich GaP(001) Surfaces. physica status solidi (a). 2001;184(1):105-110. doi:10.1002/1521-396x(200103)184:1<105::aid-pssa105>3.0.co;2-d
LibreCat | DOI
 
[256]
2001 | Journal Article | LibreCat-ID: 13847
Hingerl K, Balderas-Navarro R., Bonanni A, Tichopadek P, Schmidt WG. On the origin of resonance features in reflectance difference data of silicon. Applied Surface Science. 2001;175-176:769-776. doi:10.1016/s0169-4332(01)00114-3
LibreCat | DOI
 
[255]
2001 | Journal Article | LibreCat-ID: 13849
Schmidt WG, Bechstedt F, Bernholc J. Terrace and step contributions to the optical anisotropy of Si(001) surfaces. Physical Review B. 2001;63. doi:10.1103/physrevb.63.045322
LibreCat | DOI
 
[254]
2000 | Journal Article | LibreCat-ID: 13756
Pulci O, Lüdge K, Schmidt WG, Bechstedt F. First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces. Surface Science. 2000;464:272-282. doi:10.1016/s0039-6028(00)00729-9
LibreCat | DOI
 
[253]
2000 | Journal Article | LibreCat-ID: 13757
Schmidt WG, Bernholc J, Bechstedt F. (001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures. Applied Surface Science. 2000;166:179-184. doi:10.1016/s0169-4332(00)00406-2
LibreCat | DOI
 
[252]
2000 | Journal Article | LibreCat-ID: 13758
Frisch AM, Vogt P, Visbeck S, et al. Angle Resolved Photoemission Spectroscopy of the InP(001) surface. Applied Surface Science. 2000;166:224-230. doi:10.1016/s0169-4332(00)00431-1
LibreCat | DOI
 
[251]
2000 | Journal Article | LibreCat-ID: 13759
Schmidt WG, Mirbt S, Bechstedt F. Surface phase diagram of (2×4) and (4×2) reconstructions of GaAs(001). Physical Review B. 2000;62(12):8087-8091. doi:10.1103/physrevb.62.8087
LibreCat | DOI
 
[250]
2000 | Journal Article | LibreCat-ID: 13760
Schmidt WG, Esser N, Frisch AM, et al. Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum ofInP(001)(2×4). Physical Review B. 2000;61:R16335-R16338. doi:10.1103/physrevb.61.r16335
LibreCat | DOI
 
[249]
2000 | Journal Article | LibreCat-ID: 13761
Schmidt WG, Bechstedt F, Bernholc J. Understanding reflectance anisotropy: Surface-state signatures and bulk-related features. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures. 2000;18(4). doi:10.1116/1.1305289
LibreCat | DOI
 
[248]
2000 | Journal Article | LibreCat-ID: 13762
Schmidt WG, Bernholc J. Step-induced optical anisotropy of Si(111):H surfaces. Physical Review B. 2000;61(11):7604-7608. doi:10.1103/physrevb.61.7604
LibreCat | DOI
 
[247]
2000 | Book Chapter | LibreCat-ID: 13763
Bernholc J, Briggs EL, Bungaro C, 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. 217. physica status solidi (b); 2000:685-701. doi:10.1002/3527603107.ch33
LibreCat | DOI
 
[246]
1999 | Journal Article | LibreCat-ID: 13764
Bechstedt F, Adolph B, Schmidt WG. Ab initio calculation of linear and nonlinear optical properties of semiconductor structures. Brazilian Journal of Physics. 1999;29(4). doi:10.1590/s0103-97331999000400007
LibreCat | DOI
 
[245]
1999 | Journal Article | LibreCat-ID: 13765
Schmidt WG, FATTEBERT JL, BERNHOLC J, BECHSTEDT F. SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001). Surface Review and Letters. 1999;6(6):1159-1165. doi:10.1142/s0218625x99001281
LibreCat | DOI
 
[244]
1999 | Journal Article | LibreCat-ID: 13766
Bechstedt F, Pulci O, Schmidt WG. Theoretical Aspects of the Optical Response of Semiconductor Surfaces. physica status solidi (a). 1999;175(5):5-16. doi:10.1002/(sici)1521-396x(199909)175:1<5::aid-pssa5>3.0.co;2-9
LibreCat | DOI
 
[243]
1999 | Journal Article | LibreCat-ID: 13767
Esser N, Schmidt WG, Bernholc J, et al. GaP(001) and InP(001): Reflectance anisotropy and surface geometry. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures. 1999;17(4). doi:10.1116/1.590810
LibreCat | DOI
 
[242]
1999 | Journal Article | LibreCat-ID: 13768
Frisch AM, Schmidt WG, Bernholc J, Pristovsek M, Esser N, Richter W. (2×4)GaP(001) surface: Atomic structure and optical anisotropy. Physical Review B. 1999;60(4):2488-2494. doi:10.1103/physrevb.60.2488
LibreCat | DOI
 
[241]
1999 | Journal Article | LibreCat-ID: 13769
Schmidt WG, Briggs EL, Bernholc J, Bechstedt F. Structural fingerprints in the reflectance anisotropy spectra ofInP(001)(2×4)surfaces. Physical Review B. 1999;59(3):2234-2239. doi:10.1103/physrevb.59.2234
LibreCat | DOI
 
[240]
1998 | Journal Article | LibreCat-ID: 13771
Shkrebtii AI, Esser N, Richter W, et al. Reflectance Anisotropy of GaAs(100): Theory and Experiment. Physical Review Letters. 1998;81(3):721-724. doi:10.1103/physrevlett.81.721
LibreCat | DOI
 
[239]
1998 | Journal Article | LibreCat-ID: 13772
Schmidt WG, Bechstedt F. Geometry and electronic structure of InP(001)(2×4) reconstructions. Surface Science. 1998;409(3):474-484. doi:10.1016/s0039-6028(98)00260-x
LibreCat | DOI
 
[238]
1998 | Journal Article | LibreCat-ID: 13773
Schmidt WG, Bechstedt F, Esser N, Pristovsek M, Schultz C, Richter W. Atomic structure of InP(001)-(2×4): A dimer reconstruction. Physical Review B. 1998;57(23):14596-14599. doi:10.1103/physrevb.57.14596
LibreCat | DOI
 
[237]
1998 | Journal Article | LibreCat-ID: 13774
Schmidt WG, Käckell P, Bechstedt F. In-induced (4 × 2) reconstructions of GaAs(001) surfaces. Applied Surface Science. 1998;123-124:136-140. doi:10.1016/s0169-4332(97)00510-2
LibreCat | DOI
 
[236]
1997 | Journal Article | LibreCat-ID: 13859
Nilen RWN, Connell SH, Britton DT, et al. A High Resolution Investigation of the Anisotropic Electron-Positron Momentum Distribution in Diamond. Materials Science Forum. 1997;255-257:475-478. doi:10.4028/www.scientific.net/msf.255-257.475
LibreCat | DOI
 
[235]
1997 | Journal Article | LibreCat-ID: 13775
Schmidt WG. (4×2) and (2×4) reconstructions of GaAs and InP(001) surfaces. Applied Physics A: Materials Science & Processing. 1997;65:581-586. doi:10.1007/s003390050625
LibreCat | DOI
 
[234]
1997 | Journal Article | LibreCat-ID: 13776
Nilen RWN, Connell SH, Britton DT, et al. The anisotropic electron - positron momentum distribution in diamond. Journal of Physics: Condensed Matter. 1997;9:6323-6333. doi:10.1088/0953-8984/9/29/017
LibreCat | DOI
 
[233]
1997 | Journal Article | LibreCat-ID: 13777
Grossner U, Schmidt WG, Bechstedt F. As on InP(110) studied within density-functional theory. Physical Review B. 1997;56(11):6719-6726. doi:10.1103/physrevb.56.6719
LibreCat | DOI
 
[232]
1997 | Journal Article | LibreCat-ID: 13778
Großner U, Schmidt WG, Bechstedt F, Santos PV, Koopmans B, Esser N. Chemisorption of arsenic on InP(110). Surface Science. 1997;377-379:619-622. doi:10.1016/s0039-6028(96)01469-0
LibreCat | DOI
 
[231]
1997 | Journal Article | LibreCat-ID: 13779
Schmidt WG, Bechstedt F. Comparison of As-rich and Sb-terminated GaAs(100)(2 × 4) reconstructions. Surface Science. 1997;377-379:11-14. doi:10.1016/s0039-6028(96)01318-0
LibreCat | DOI
 
[230]
1997 | Journal Article | LibreCat-ID: 13780
Schmidt WG, Bechstedt F. Antimony-stabilized GaAs(001)(2×4) reconstructions. Physical Review B. 1997;55(19):13051-13057. doi:10.1103/physrevb.55.13051
LibreCat | DOI
 
[229]
1997 | Journal Article | LibreCat-ID: 13781
Nilen RWN, Connell SH, Schmidt WG, et al. Electron-positron momentum density distribution in diamond. Applied Surface Science. 1997;116:330-334. doi:10.1016/s0169-4332(96)01078-1
LibreCat | DOI
 
[228]
1996 | Journal Article | LibreCat-ID: 13782
Esser N, Shkrebtii AI, Resch-Esser U, et al. Atomic Structure of the Sb-Stabilized GaAs(100)-(2×4) Surface. Physical Review Letters. 1996;77(21):4402-4405. doi:10.1103/physrevlett.77.4402
LibreCat | DOI
 
[227]
1996 | Journal Article | LibreCat-ID: 13783
Schmidt WG, Bechstedt F. Geometry and electronic structure of GaAs(001)(2×4) reconstructions. Physical Review B. 1996;54(23):16742-16748. doi:10.1103/physrevb.54.16742
LibreCat | DOI
 
[226]
1996 | Journal Article | LibreCat-ID: 13784
Santos PV, Koopmans B, Esser N, Schmidt WG, Bechstedt F. Optical Properties of Ordered As Layers on InP(110) Surfaces. Physical Review Letters. 1996;77(4):759-762. doi:10.1103/physrevlett.77.759
LibreCat | DOI
 
[225]
1996 | Journal Article | LibreCat-ID: 13785
Schmidt WG, Bechstedt F. Atomic structures of GaAs(100)-(2 × 4) reconstructions. Surface Science. 1996;360(1):L473-L477. doi:10.1016/0039-6028(96)00728-5
LibreCat | DOI
 
[224]
1996 | Journal Article | LibreCat-ID: 13786
Bechstedt F, Schmidt WG, Scholze A. Adatoms and vacancies on the diamond(111) surface. Europhysics Letters (EPL). 1996;35(8):585-590. doi:10.1209/epl/i1996-00155-0
LibreCat | DOI
 
[223]
1996 | Journal Article | LibreCat-ID: 13788
Schmidt WG, Verwoerd W. Annihilation of delocalized positrons: a comparison of diamond and silicon. Physics Letters A. 1996;222(4):275-280. doi:10.1016/0375-9601(96)00653-6
LibreCat | DOI
 
[222]
1996 | Journal Article | LibreCat-ID: 13789
Scholze A, Schmidt WG, Bechstedt F. Structure of the diamond (111) surface: Single-dangling-bond versus triple-dangling-bond face. Physical Review B. 1996;53(20):13725-13733. doi:10.1103/physrevb.53.13725
LibreCat | DOI
 
[221]
1996 | Journal Article | LibreCat-ID: 13790
Schmidt WG, Käckell P, Bechstedt F. 3d core-level shifts at. Surface Science. 1996;357-358:545-549. doi:10.1016/0039-6028(96)00220-8
LibreCat | DOI
 
[220]
1996 | Journal Article | LibreCat-ID: 13791
Scholze A, Schmidt WG, Bechstedt F. Diamond (111) and (100) surface reconstructions. Thin Solid Films. 1996;281-282:256-259. doi:10.1016/0040-6090(96)08646-4
LibreCat | DOI
 
[219]
1996 | Journal Article | LibreCat-ID: 13792
Schmidt WG, Bechstedt F, Srivastava GP. Phonons at III–V (110) surfaces. Surface Science. 1996;352-354:83-88. doi:10.1016/0039-6028(95)01095-5
LibreCat | DOI
 
[218]
1996 | Journal Article | LibreCat-ID: 13793
Schmidt WG, Scholze A, Bechstedt F. Dimerized, buckled, or ideal chains on the diamond (111)2 × 1 surface? Surface Science. 1996;351:183-188. doi:10.1016/0039-6028(95)01270-2
LibreCat | DOI
 
[217]
1996 | Journal Article | LibreCat-ID: 13794
Käckell P, Schmidt WG, Bechstedt F. Se-induced 3d core-level shifts of GaAs(110). Applied Surface Science. 1996;104-105:141-146. doi:10.1016/s0169-4332(96)00135-3
LibreCat | DOI
 
[216]
1996 | Journal Article | LibreCat-ID: 13795
Scholze A, Schmidt WG, Käckell P, Bechstedt F. Diamond (111) and (100) surface: ab initio study of the atomic and electronic structure. Materials Science and Engineering: B. 1996;37(1-3):158-161. doi:10.1016/0921-5107(95)01477-2
LibreCat | DOI
 
[215]
1995 | Journal Article | LibreCat-ID: 13796
Santos PV, Esser N, Groenen J, Cardona M, Schmidt WG, Bechstedt F. Hydrogen interaction with Sb-terminated GaAs and InP (110) surfaces. Physical Review B. 1995;52(24):17379-17385. doi:10.1103/physrevb.52.17379
LibreCat | DOI
 
[214]
1995 | Journal Article | LibreCat-ID: 13797
Santos PV, Esser N, Cardona M, Schmidt WG, Bechstedt F. Optical properties of Sb-terminated GaAs and InP (110) surfaces. Physical Review B. 1995;52(16):12158-12167. doi:10.1103/physrevb.52.12158
LibreCat | DOI
 
[213]
1995 | Journal Article | LibreCat-ID: 13798
Schmidt WG, Bechstedt F, Srivastava GP. III-V(110) surface dynamics from anab initiofrozen-phonon approach. Physical Review B. 1995;52(3):2001-2007. doi:10.1103/physrevb.52.2001
LibreCat | DOI
 
[212]
1995 | Journal Article | LibreCat-ID: 13799
Schmidt WG, Bechstedt F. Se/GaAs(110): energetics and structure. Surface Science. 1995;331-333(Part A):557-563. doi:10.1016/0039-6028(95)00317-7
LibreCat | DOI
 
[211]
1995 | Journal Article | LibreCat-ID: 13800
Kress C, Fiedler M, Schmidt WG, Bechstedt F. Quasi-particle band structure of C(111)2 × 1 and C(100)2 × 1 surfaces. Surface Science. 1995;331-333:1152-1156. doi:10.1016/0039-6028(95)00160-3
LibreCat | DOI
 
[210]
1995 | Journal Article | LibreCat-ID: 13801
Schmidt WG, Srivastava GP. III-V(110)/Sb(1 ML): structural and dynamical properties. Surface Science. 1995;331-333(Part A):540-545. doi:10.1016/0039-6028(95)00304-5
LibreCat | DOI
 
[209]
1995 | Journal Article | LibreCat-ID: 13850
Kress C, Fiedler M, Schmidt WG, Bechstedt F. Geometrical and electronic structure of the reconstructed diamond (100) surface. Physical Review B. 1995;50(23):17697-17700. doi:10.1103/physrevb.50.17697
LibreCat | DOI
 
[208]
1995 | Journal Article | LibreCat-ID: 13851
Schmidt WG, Bechstedt F. Exchange reactions versus adsorption geometries for Se/GaAs(110). Physical Review B. 1995;50(23):17651-17654. doi:10.1103/physrevb.50.17651
LibreCat | DOI
 
[207]
1995 | Journal Article | LibreCat-ID: 13852
Schmidt WG, Bechstedt F. Se/GaAs(110): Atomic and electronic structure. Physical Review B. 1995;50(23):17280-17291. doi:10.1103/physrevb.50.17280
LibreCat | DOI
 
[206]
1994 | Journal Article | LibreCat-ID: 13853
Bechstedt F, Schmidt WG, Wenzien B. Energetics and Structure of Ordered Sb Overlayers and Sb Clusters on GaAs(110) Probed by Ab Initio Calculations. Europhysics Letters (EPL). 1994;25(5):357-362. doi:10.1209/0295-5075/25/5/008
LibreCat | DOI
 
[205]
1994 | Journal Article | LibreCat-ID: 13854
Schmidt WG, Srivastava G. First principles calculations of interface phonons of an Epitaxial Sb monolayer on GaAs(110) and InP(110). Solid State Communications. 1994;89(4):345-348. doi:10.1016/0038-1098(94)90597-5
LibreCat | DOI
 
[204]
1994 | Journal Article | LibreCat-ID: 13855
Schmidt WG, Wenzien B, Bechstedt F. Coverage-dependent bonding of Sb on GaAs (110). Surface Science. 1994;307-309(Part A):235-240. doi:10.1016/0039-6028(94)90400-6
LibreCat | DOI
 
[203]
1994 | Journal Article | LibreCat-ID: 13856
Schmidt WG, Wenzien B, Bechstedt F. Chemisorption of antimony on GaAs(110). Physical Review B. 1994;49(7):4731-4744. doi:10.1103/physrevb.49.4731
LibreCat | DOI
 
[202]
1993 | Journal Article | LibreCat-ID: 13857
Schmidt WG, Srivastava GP. Chemisorption of aluminium on GaAs(110). Journal of Physics: Condensed Matter. 1993;5(49):9025-9036. doi:10.1088/0953-8984/5/49/005
LibreCat | DOI
 
[201]
1993 | Journal Article | LibreCat-ID: 13858
Schmidt WG, Wenzien B, Bechstedt F. AB initio calculation of the atomic and electronic structure for Sb adsorbed on GaAs(110). Czechoslovak Journal of Physics. 1993;43(9-10):1003-1007. doi:10.1007/bf01595293
LibreCat | DOI
 
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