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347 Publications
2005 | Journal Article | LibreCat-ID: 13846
Hahn, P. H., Schmidt, W. G., & Bechstedt, F. (2005). Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics. Physical Review B, 72(24). https://doi.org/10.1103/physrevb.72.245425
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2004 | Journal Article | LibreCat-ID: 13710
Ohtake, A., Kocán, P., Seino, K., Schmidt, W. G., & Koguchi, N. (2004). Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase. Physical Review Letters, 93, 266101. https://doi.org/10.1103/physrevlett.93.266101
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2004 | Journal Article | LibreCat-ID: 13711
Seino, K., & Schmidt, W. G. (2004). H2O on Si(001): surface optical anisotropy from first-principles calculations. Surface Science, 571(157), 157–160. https://doi.org/10.1016/j.susc.2004.08.012
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2004 | Journal Article | LibreCat-ID: 13712
Schmidt, W. G., Fuchs, F., Hermann, A., Seino, K., Bechstedt, F., Paßmann, R., … Bernholc, J. (2004). Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions. Journal of Physics: Condensed Matter, 16, S4323–S4334. https://doi.org/10.1088/0953-8984/16/39/007
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2004 | Journal Article | LibreCat-ID: 13713
Palummo, M., Pulci, O., Sole, R. D., Marini, A., Hahn, P., Schmidt, W. G., & Bechstedt, F. (2004). The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra. Journal of Physics: Condensed Matter, 16, S4313–S4322. https://doi.org/10.1088/0953-8984/16/39/006
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2004 | Journal Article | LibreCat-ID: 13715
Preuss, M., Schmidt, W. G., Seino, K., & Bechstedt, F. (2004). Methylchloride adsorbed on Si(001): an ab initio study. Applied Surface Science, 234, 155–161. https://doi.org/10.1016/j.apsusc.2004.05.041
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2004 | Journal Article | LibreCat-ID: 13716
Fleischer, K., Chandola, S., Esser, N., Richter, W., McGilp, J. ., Schmidt, W. G., … Bernholc, J. (2004). Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy. Applied Surface Science, 234, 302–306. https://doi.org/10.1016/j.apsusc.2004.05.114
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2004 | Journal Article | LibreCat-ID: 13717
Seino, K., Schmidt, W. G., & Bechstedt, F. (2004). Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection. Physical Review Letters, 93(3). https://doi.org/10.1103/physrevlett.93.036101
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2004 | Journal Article | LibreCat-ID: 13718
Preuss, M., Schmidt, W. G., & Bechstedt, F. (2004). Methyl Chloride Adsorption on Si(001)−Electronic Structure. The Journal of Physical Chemistry B, 108, 7809–7813. https://doi.org/10.1021/jp049661z
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2004 | Journal Article | LibreCat-ID: 13719
Seino, K., Schmidt, W. G., & Bechstedt, F. (2004). Organic modification of surface electronic properties: A first-principles study of uracil on Si(001). Physical Review B, 69, 245309. https://doi.org/10.1103/physrevb.69.245309
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2004 | Journal Article | LibreCat-ID: 13720
Schmidt, W. G., Seino, K., Hahn, P. H., Bechstedt, F., Lu, W., Wang, S., & Bernholc, J. (2004). Calculation of surface optical properties: from qualitative understanding to quantitative predictions. Thin Solid Films, 455–456, 764–771. https://doi.org/10.1016/j.tsf.2003.11.263
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2004 | Journal Article | LibreCat-ID: 13721
Seino, K., & Schmidt, W. G. (2004). Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions. Surface Science, 548, 183–186. https://doi.org/10.1016/j.susc.2003.11.002
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2004 | Journal Article | LibreCat-ID: 13722
Preuss, M., Schmidt, W. G., Seino, K., Furthmüller, J., & Bechstedt, F. (2004). Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials. Journal of Computational Chemistry, 25(1), 112–122. https://doi.org/10.1002/jcc.10372
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2003 | Journal Article | LibreCat-ID: 13723
Bechstedt, F., Del Sole, R., Glutsch, S., Hahn, P. H., Pulci, O., & Schmidt, W. G. (2003). Many-body and overlayer effects on surface optical properties. Physica Status Solidi (B), 240(3), 469–479. https://doi.org/10.1002/pssb.200303827
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2003 | Journal Article | LibreCat-ID: 13724
Pristovsek, M., Tsukamoto, S., Ohtake, A., Koguchi, N., Orr, B. G., Schmidt, W. G., & Bernholc, J. (2003). Gallium-rich reconstructions on GaAs(001). Physica Status Solidi (B), 240(1), 91–98. https://doi.org/10.1002/pssb.200301885
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2003 | Journal Article | LibreCat-ID: 13725
Lu, W., Schmidt, W. G., & Bernholc, J. (2003). Cycloaddition reaction versus dimer cleavage at theSi(001):C5H8interface. Physical Review B, 68, 115327. https://doi.org/10.1103/physrevb.68.115327
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2003 | Journal Article | LibreCat-ID: 13726
Castillo, C., Mendoza, B. S., Schmidt, W. G., Hahn, P. H., & Bechstedt, F. (2003). Layer-by-layer analysis of surface reflectance anisotropy in semiconductors. Physical Review B, 68, 041310(R). https://doi.org/10.1103/physrevb.68.041310
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2003 | Journal Article | LibreCat-ID: 13727
Wang, S., Lu, W., Schmidt, W. G., & Bernholc, J. (2003). Nanowire-induced optical anisotropy of the Si(111)-In surface. Physical Review B, 68, 035329. https://doi.org/10.1103/physrevb.68.035329
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2003 | Journal Article | LibreCat-ID: 13728
Hahn, P. H., Schmidt, W. G., Bechstedt, F., Pulci, O., & Del Sole, R. (2003). P-richGaP(001)(2×1)/(2×2)surface: A hydrogen-adsorbate structure determined from first-principles calculations. Physical Review B, 68, 033311. https://doi.org/10.1103/physrevb.68.033311
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2003 | Journal Article | LibreCat-ID: 13729
Schmidt, W. G., & Seino, K. (2003). Pyrrole (C4H4NH) and Polypyrrole Functionalized Silicon Surfaces Calculated from First Principles. Surface Review and Letters, 10(2–3), 221–226. https://doi.org/10.1142/s0218625x03004901
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2003 | Journal Article | LibreCat-ID: 13730
Hahn, P. H., & Schmidt, W. G. (2003). Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation. Surface Review and Letters, 10(2–3), 163–167. https://doi.org/10.1142/s0218625x03004913
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2003 | Journal Article | LibreCat-ID: 13732
Seino, K., Schmidt, W. G., Preuss, M., & Bechstedt, F. (2003). Uracil Adsorbed on Si(001): Structure and Energetics. The Journal of Physical Chemistry B, 107, 5031–5035. https://doi.org/10.1021/jp0342531
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2003 | Journal Article | LibreCat-ID: 13733
Schmidt, W. G., Hahn, P. H., Bechstedt, F., Esser, N., Vogt, P., Wange, A., & Richter, W. (2003). InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure. Physical Review Letters, 90(12), 126101. https://doi.org/10.1103/physrevlett.90.126101
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2003 | Journal Article | LibreCat-ID: 13734
Schmidt, W. G., Glutsch, S., Hahn, P. H., & Bechstedt, F. (2003). EfficientO(N2)method to solve the Bethe-Salpeter equation. Physical Review B, 67, 085307. https://doi.org/10.1103/physrevb.67.085307
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2003 | Journal Article | LibreCat-ID: 13735
Seino, K., Schmidt, W. G., Furthmüller, J., & Bechstedt, F. (2003). Chemisorption of pyrrole and polypyrrole on Si(001). Physical Review B, 66, 235323. https://doi.org/10.1103/physrevb.66.235323
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2002 | Journal Article | LibreCat-ID: 13736
Schmidt, W. G., Bechstedt, F., Lu, W., & Bernholc, J. (2002). Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001). Physical Review B, 66, 0855334. https://doi.org/10.1103/physrevb.66.085334
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2002 | Journal Article | LibreCat-ID: 13737
Seino, K., Schmidt, W. G., Bechstedt, F., & Bernholc, J. (2002). Structure and energetics of Ga-rich GaAs() surfaces. Surface Science, 507–510, 406–410. https://doi.org/10.1016/s0039-6028(02)01278-5
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2002 | Journal Article | LibreCat-ID: 13738
Schmidt, W. G., Bechstedt, F., & Bernholc, J. (2002). GaAs(001) surface reconstructions: geometries, chemical bonding and optical properties. Applied Surface Science, 190, 264–268. https://doi.org/10.1016/s0169-4332(01)00862-5
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2002 | Journal Article | LibreCat-ID: 13739
Schmidt, W. G. (2002). III-V compound semiconductor (001) surfaces. Applied Physics A: Materials Science & Processing, 75, 89–99. https://doi.org/10.1007/s003390101058
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2002 | Journal Article | LibreCat-ID: 13740
Hahn, P. H., Schmidt, W. G., & Bechstedt, F. (2002). Bulk Excitonic Effects in Surface Optical Spectra. Physical Review Letters, 88(1). https://doi.org/10.1103/physrevlett.88.016402
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2002 | Journal Article | LibreCat-ID: 13741
Schmidt, W. G., Bechstedt, F., Fleischer, K., Cobet, C., Esser, N., Richter, W., … Onida, G. (2002). GaAs(001): Surface Structure and Optical Properties. Physica Status Solidi (A), 188(4), 1401–1409. https://doi.org/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, W. G., & Hahn, P. H. (2002). Towards a Complete Many-Body Description: Optical Response of Real Surfaces. Physica Status Solidi (A), 188(4), 1383–1392. https://doi.org/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, W. G., Pulci, O., Palummo, M., Marini, A., Hogan, C., & Del Sole, R. (2002). Theory for Modeling the Optical Properties of Surfaces. Physica Status Solidi (A), 188(4), 1233–1242. https://doi.org/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, W. G. (2002). X-ray diffraction analysis of the gallium-rich surface of GaAs(001). Physical Review B, 64, 161305(R). https://doi.org/10.1103/physrevb.64.161305
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2002 | Journal Article | LibreCat-ID: 13750
Pulci, O., Lüdge, K., Vogt, P., Esser, N., Schmidt, W. G., Richter, W., & Bechstedt, F. (2002). First-principles study of InP and GaP(001) surfaces. Computational Materials Science, 32–37. https://doi.org/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. (2002). On the origin of resonance features in reflectance difference data of silicon. Applied Surface Science, 175–176, 769–776. https://doi.org/10.1016/s0169-4332(01)00114-3
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2002 | Journal Article | LibreCat-ID: 13754
Schmidt, W. G., Bechstedt, F., & Bernholc, J. (2002). Terrace and step contributions to the optical anisotropy of Si(001) surfaces. Physical Review B, 63, 045322. https://doi.org/10.1103/physrevb.63.045322
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2002 | Journal Article | LibreCat-ID: 13755
Lu, W., Schmidt, W. G., Briggs, E. L., & Bernholc, J. (2002). Optical Anisotropy of theSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model. Physical Review Letters, 85(20), 4381–4384. https://doi.org/10.1103/physrevlett.85.4381
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2001 | Journal Article | LibreCat-ID: 13751
Esser, N., Schmidt, W. G., Cobet, C., Fleischer, K., Shkrebtii, A. I., Fimland, B. O., & Richter, W. (2001). Atomic structure and optical anisotropy of III–V(001) surfaces. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, 19(5). https://doi.org/10.1116/1.1394730
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2001 | Journal Article | LibreCat-ID: 13753
Pulci, O., Schmidt, W. G., & Bechstedt, F. (2001). Structure and Energetics of P-rich GaP(001) Surfaces. Physica Status Solidi (A), 184(1), 105–110. https://doi.org/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, W. G. (2001). On the origin of resonance features in reflectance difference data of silicon. Applied Surface Science, 175–176, 769–776. https://doi.org/10.1016/s0169-4332(01)00114-3
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2001 | Journal Article | LibreCat-ID: 13849
Schmidt, W. G., Bechstedt, F., & Bernholc, J. (2001). Terrace and step contributions to the optical anisotropy of Si(001) surfaces. Physical Review B, 63. https://doi.org/10.1103/physrevb.63.045322
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2000 | Journal Article | LibreCat-ID: 13756
Pulci, O., Lüdge, K., Schmidt, W. G., & Bechstedt, F. (2000). First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces. Surface Science, 464, 272–282. https://doi.org/10.1016/s0039-6028(00)00729-9
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2000 | Journal Article | LibreCat-ID: 13757
Schmidt, W. G., Bernholc, J., & Bechstedt, F. (2000). (001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures. Applied Surface Science, 166, 179–184. https://doi.org/10.1016/s0169-4332(00)00406-2
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2000 | Journal Article | LibreCat-ID: 13758
Frisch, A. M., Vogt, P., Visbeck, S., Hannappel, T., Willig, F., Braun, W., … Esser, N. (2000). Angle Resolved Photoemission Spectroscopy of the InP(001) surface. Applied Surface Science, 166, 224–230. https://doi.org/10.1016/s0169-4332(00)00431-1
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2000 | Journal Article | LibreCat-ID: 13759
Schmidt, W. G., Mirbt, S., & Bechstedt, F. (2000). Surface phase diagram of (2×4) and (4×2) reconstructions of GaAs(001). Physical Review B, 62(12), 8087–8091. https://doi.org/10.1103/physrevb.62.8087
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2000 | Journal Article | LibreCat-ID: 13760
Schmidt, W. G., Esser, N., Frisch, A. M., Vogt, P., Bernholc, J., Bechstedt, F., … Richter, W. (2000). Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum ofInP(001)(2×4). Physical Review B, 61, R16335–R16338. https://doi.org/10.1103/physrevb.61.r16335
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2000 | Journal Article | LibreCat-ID: 13761
Schmidt, W. G., Bechstedt, F., & Bernholc, J. (2000). Understanding reflectance anisotropy: Surface-state signatures and bulk-related features. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, 18(4). https://doi.org/10.1116/1.1305289
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2000 | Journal Article | LibreCat-ID: 13762
Schmidt, W. G., & Bernholc, J. (2000). Step-induced optical anisotropy of Si(111):H surfaces. Physical Review B, 61(11), 7604–7608. https://doi.org/10.1103/physrevb.61.7604
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2000 | Book Chapter | LibreCat-ID: 13763
Bernholc, J., Briggs, E. L., Bungaro, C., Buongiorno Nardelli, M., Fattebert, J.-L., Rapcewicz, K., … Zhao, Q. (2000). Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes and Quantum Transport. In Computer Simulation of Materials at Atomic Level (Vol. 1, pp. 685–701). physica status solidi (b). https://doi.org/10.1002/3527603107.ch33
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