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347 Publications
2005 | Journal Article | LibreCat-ID: 13846
Hahn, P. H., et al. “Molecular Electronic Excitations Calculated from a Solid-State Approach: Methodology and Numerics.” Physical Review B, vol. 72, no. 24, 2005, doi:10.1103/physrevb.72.245425.
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2004 | Journal Article | LibreCat-ID: 13710
Ohtake, Akihiro, et al. “Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase.” Physical Review Letters, vol. 93, 2004, p. 266101, doi:10.1103/physrevlett.93.266101.
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2004 | Journal Article | LibreCat-ID: 13711
Seino, K., and Wolf Gero Schmidt. “H2O on Si(001): Surface Optical Anisotropy from First-Principles Calculations.” Surface Science, vol. 571, no. 157, 2004, pp. 157–60, doi:10.1016/j.susc.2004.08.012.
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2004 | Journal Article | LibreCat-ID: 13712
Schmidt, Wolf Gero, et al. “Oxidation- and Organic-Molecule-Induced Changes of the Si Surface Optical Anisotropy:Ab Initiopredictions.” Journal of Physics: Condensed Matter, vol. 16, 2004, pp. S4323–34, doi:10.1088/0953-8984/16/39/007.
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2004 | Journal Article | LibreCat-ID: 13713
Palummo, M., et al. “The Bethe–Salpeter Equation: A First-Principles Approach for Calculating Surface Optical Spectra.” Journal of Physics: Condensed Matter, vol. 16, 2004, pp. S4313–22, doi:10.1088/0953-8984/16/39/006.
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2004 | Journal Article | LibreCat-ID: 13715
Preuss, M., et al. “Methylchloride Adsorbed on Si(001): An Ab Initio Study.” Applied Surface Science, vol. 234, 2004, pp. 155–61, doi:10.1016/j.apsusc.2004.05.041.
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2004 | Journal Article | LibreCat-ID: 13716
Fleischer, K., 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, 2004, pp. 302–06, doi:10.1016/j.apsusc.2004.05.114.
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2004 | Journal Article | LibreCat-ID: 13717
Seino, K., et al. “Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection.” Physical Review Letters, vol. 93, no. 3, 2004, doi:10.1103/physrevlett.93.036101.
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2004 | Journal Article | LibreCat-ID: 13718
Preuss, M., et al. “Methyl Chloride Adsorption on Si(001)−Electronic Structure.” The Journal of Physical Chemistry B, vol. 108, 2004, pp. 7809–13, doi:10.1021/jp049661z.
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2004 | Journal Article | LibreCat-ID: 13719
Seino, K., et al. “Organic Modification of Surface Electronic Properties: A First-Principles Study of Uracil on Si(001).” Physical Review B, vol. 69, 2004, p. 245309, doi:10.1103/physrevb.69.245309.
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2004 | Journal Article | LibreCat-ID: 13720
Schmidt, Wolf Gero, et al. “Calculation of Surface Optical Properties: From Qualitative Understanding to Quantitative Predictions.” Thin Solid Films, vol. 455–456, 2004, pp. 764–71, doi:10.1016/j.tsf.2003.11.263.
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2004 | Journal Article | LibreCat-ID: 13721
Seino, K., and Wolf Gero Schmidt. “Reflectance Anisotropy of Uracil Covered Si(001) Surfaces: Ab Initio Predictions.” Surface Science, vol. 548, 2004, pp. 183–86, doi:10.1016/j.susc.2003.11.002.
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2004 | Journal Article | LibreCat-ID: 13722
Preuss, M., et al. “Ground- and Excited-State Properties of DNA Base Molecules from Plane-Wave Calculations Using Ultrasoft Pseudopotentials.” Journal of Computational Chemistry, vol. 25, no. 1, 2004, pp. 112–22, doi:10.1002/jcc.10372.
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2003 | Journal Article | LibreCat-ID: 13723
Bechstedt, F., et al. “Many-Body and Overlayer Effects on Surface Optical Properties.” Physica Status Solidi (B), vol. 240, no. 3, 2003, pp. 469–79, doi:10.1002/pssb.200303827.
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2003 | Journal Article | LibreCat-ID: 13724
Pristovsek, M., et al. “Gallium-Rich Reconstructions on GaAs(001).” Physica Status Solidi (B), vol. 240, no. 1, 2003, pp. 91–98, doi:10.1002/pssb.200301885.
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2003 | Journal Article | LibreCat-ID: 13725
Lu, Wenchang, et al. “Cycloaddition Reaction versus Dimer Cleavage at TheSi(001):C5H8interface.” Physical Review B, vol. 68, 2003, p. 115327, doi:10.1103/physrevb.68.115327.
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2003 | Journal Article | LibreCat-ID: 13726
Castillo, C., et al. “Layer-by-Layer Analysis of Surface Reflectance Anisotropy in Semiconductors.” Physical Review B, vol. 68, 2003, p. 041310(R), doi:10.1103/physrevb.68.041310.
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2003 | Journal Article | LibreCat-ID: 13727
Wang, Shuchun, et al. “Nanowire-Induced Optical Anisotropy of the Si(111)-In Surface.” Physical Review B, vol. 68, 2003, p. 035329, doi:10.1103/physrevb.68.035329.
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2003 | Journal Article | LibreCat-ID: 13728
Hahn, P. H., et al. “P-RichGaP(001)(2×1)/(2×2)Surface: A Hydrogen-Adsorbate Structure Determined from First-Principles Calculations.” Physical Review B, vol. 68, 2003, p. 033311, doi:10.1103/physrevb.68.033311.
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2003 | Journal Article | LibreCat-ID: 13729
Schmidt, Wolf Gero, and K. Seino. “Pyrrole (C4H4NH) and Polypyrrole Functionalized Silicon Surfaces Calculated from First Principles.” Surface Review and Letters, vol. 10, no. 2–3, 2003, pp. 221–26, doi:10.1142/s0218625x03004901.
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2003 | Journal Article | LibreCat-ID: 13730
Hahn, P. H., and Wolf Gero Schmidt. “Surface Ordering of P-Rich InP(001): Hydrogen Stabilization vs Electron Correlation.” Surface Review and Letters, vol. 10, no. 2–3, 2003, pp. 163–67, doi:10.1142/s0218625x03004913.
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2003 | Journal Article | LibreCat-ID: 13732
Seino, K., et al. “Uracil Adsorbed on Si(001): Structure and Energetics.” The Journal of Physical Chemistry B, vol. 107, 2003, pp. 5031–35, doi:10.1021/jp0342531.
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2003 | Journal Article | LibreCat-ID: 13733
Schmidt, Wolf Gero, et al. “InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure.” Physical Review Letters, vol. 90, no. 12, 2003, p. 126101, doi:10.1103/physrevlett.90.126101.
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2003 | Journal Article | LibreCat-ID: 13734
Schmidt, Wolf Gero, et al. “EfficientO(N2)Method to Solve the Bethe-Salpeter Equation.” Physical Review B, vol. 67, 2003, p. 085307, doi:10.1103/physrevb.67.085307.
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2003 | Journal Article | LibreCat-ID: 13735
Seino, K., et al. “Chemisorption of Pyrrole and Polypyrrole on Si(001).” Physical Review B, vol. 66, 2003, p. 235323, doi:10.1103/physrevb.66.235323.
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2002 | Journal Article | LibreCat-ID: 13736
Schmidt, Wolf Gero, et al. “Interplay of Surface Reconstruction and Surface Electric Fields in the Optical Anisotropy of GaAs(001).” Physical Review B, vol. 66, 2002, p. 0855334, doi:10.1103/physrevb.66.085334.
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2002 | Journal Article | LibreCat-ID: 13737
Seino, K., et al. “Structure and Energetics of Ga-Rich GaAs() Surfaces.” Surface Science, vol. 507–510, 2002, pp. 406–10, doi:10.1016/s0039-6028(02)01278-5.
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| DOI
2002 | Journal Article | LibreCat-ID: 13738
Schmidt, Wolf Gero, et al. “GaAs(001) Surface Reconstructions: Geometries, Chemical Bonding and Optical Properties.” Applied Surface Science, vol. 190, 2002, pp. 264–68, doi:10.1016/s0169-4332(01)00862-5.
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2002 | Journal Article | LibreCat-ID: 13739
Schmidt, Wolf Gero. “III-V Compound Semiconductor (001) Surfaces.” Applied Physics A: Materials Science & Processing, vol. 75, 2002, pp. 89–99, doi:10.1007/s003390101058.
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2002 | Journal Article | LibreCat-ID: 13740
Hahn, P. H., et al. “Bulk Excitonic Effects in Surface Optical Spectra.” Physical Review Letters, vol. 88, no. 1, 2002, doi:10.1103/physrevlett.88.016402.
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2002 | Journal Article | LibreCat-ID: 13741
Schmidt, Wolf Gero, et al. “GaAs(001): Surface Structure and Optical Properties.” Physica Status Solidi (A), vol. 188, no. 4, 2002, pp. 1401–09, 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., et al. “Towards a Complete Many-Body Description: Optical Response of Real Surfaces.” Physica Status Solidi (A), vol. 188, no. 4, 2002, pp. 1383–92, 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., et al. “Theory for Modeling the Optical Properties of Surfaces.” Physica Status Solidi (A), vol. 188, no. 4, 2002, pp. 1233–42, 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., et al. “X-Ray Diffraction Analysis of the Gallium-Rich Surface of GaAs(001).” Physical Review B, vol. 64, 2002, p. 161305(R), doi:10.1103/physrevb.64.161305.
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2002 | Journal Article | LibreCat-ID: 13750
Pulci, O., et al. “First-Principles Study of InP and GaP(001) Surfaces.” Computational Materials Science, 2002, pp. 32–37, doi:10.1016/s0927-0256(01)00161-6.
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2002 | Journal Article | LibreCat-ID: 13752
Hingerl, K., et al. “On the Origin of Resonance Features in Reflectance Difference Data of Silicon.” Applied Surface Science, vol. 175–176, 2002, pp. 769–76, doi:10.1016/s0169-4332(01)00114-3.
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2002 | Journal Article | LibreCat-ID: 13754
Schmidt, Wolf Gero, et al. “Terrace and Step Contributions to the Optical Anisotropy of Si(001) Surfaces.” Physical Review B, vol. 63, 2002, p. 045322, doi:10.1103/physrevb.63.045322.
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2002 | Journal Article | LibreCat-ID: 13755
Lu, Wenchang, et al. “Optical Anisotropy of TheSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model.” Physical Review Letters, vol. 85, no. 20, 2002, pp. 4381–84, doi:10.1103/physrevlett.85.4381.
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2001 | Journal Article | LibreCat-ID: 13751
Esser, N., 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, 1756, 2001, doi:10.1116/1.1394730.
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2001 | Journal Article | LibreCat-ID: 13753
Pulci, O., et al. “Structure and Energetics of P-Rich GaP(001) Surfaces.” Physica Status Solidi (A), vol. 184, no. 1, 2001, pp. 105–10, 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., et al. “On the Origin of Resonance Features in Reflectance Difference Data of Silicon.” Applied Surface Science, vol. 175–176, 2001, pp. 769–76, doi:10.1016/s0169-4332(01)00114-3.
LibreCat
| DOI
2001 | Journal Article | LibreCat-ID: 13849
Schmidt, Wolf Gero, et al. “Terrace and Step Contributions to the Optical Anisotropy of Si(001) Surfaces.” Physical Review B, vol. 63, 2001, doi:10.1103/physrevb.63.045322.
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2000 | Journal Article | LibreCat-ID: 13756
Pulci, Olivia, et al. “First-Principles Study of (2×1) and (2×2) Phosphorus-Rich InP(001) Surfaces.” Surface Science, vol. 464, 2000, pp. 272–82, doi:10.1016/s0039-6028(00)00729-9.
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2000 | Journal Article | LibreCat-ID: 13757
Schmidt, Wolf Gero, et al. “(001) Surfaces of GaP and InP: Structural Motifs, Electronic States and Optical Signatures.” Applied Surface Science, vol. 166, 2000, pp. 179–84, doi:10.1016/s0169-4332(00)00406-2.
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2000 | Journal Article | LibreCat-ID: 13758
Frisch, A. M., et al. “Angle Resolved Photoemission Spectroscopy of the InP(001) Surface.” Applied Surface Science, vol. 166, 2000, pp. 224–30, doi:10.1016/s0169-4332(00)00431-1.
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2000 | Journal Article | LibreCat-ID: 13759
Schmidt, Wolf Gero, et al. “Surface Phase Diagram of (2×4) and (4×2) Reconstructions of GaAs(001).” Physical Review B, vol. 62, no. 12, 2000, pp. 8087–91, doi:10.1103/physrevb.62.8087.
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2000 | Journal Article | LibreCat-ID: 13760
Schmidt, Wolf Gero, 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, 2000, pp. R16335–38, doi:10.1103/physrevb.61.r16335.
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2000 | Journal Article | LibreCat-ID: 13761
Schmidt, Wolf Gero, et al. “Understanding Reflectance Anisotropy: Surface-State Signatures and Bulk-Related Features.” Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, vol. 18, no. 4, 2215, 2000, doi:10.1116/1.1305289.
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2000 | Journal Article | LibreCat-ID: 13762
Schmidt, Wolf Gero, and J. Bernholc. “Step-Induced Optical Anisotropy of Si(111):H Surfaces.” Physical Review B, vol. 61, no. 11, 2000, pp. 7604–08, doi:10.1103/physrevb.61.7604.
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2000 | Book Chapter | LibreCat-ID: 13763
Bernholc, J., et al. “Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes and Quantum Transport.” Computer Simulation of Materials at Atomic Level, vol. 1, physica status solidi (b), 2000, pp. 685–701, doi:10.1002/3527603107.ch33.
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