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347 Publications
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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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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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
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2002 | Journal Article | LibreCat-ID: 13752
Hingerl K, Balderas-Navarro R., Bonanni A, Tichopadek P, Schmidt W. On the origin of resonance features in reflectance difference data of silicon. Applied Surface Science. 2002;175-176:769-776. doi:10.1016/s0169-4332(01)00114-3
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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