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343 Publications
2009 | Journal Article | LibreCat-ID: 13662
Blankenburg, S., & Schmidt, W. G. (2009). Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions. Journal of Physics: Condensed Matter, 21. https://doi.org/10.1088/0953-8984/21/18/185001
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| DOI
2009 | Journal Article | LibreCat-ID: 13664
Lange, B., Posner, R., Pohl, K., Thierfelder, C., Grundmeier, G., Blankenburg, S., & Schmidt, W. G. (2009). Water adsorption on hydrogenated Si(111) surfaces. Surface Science, 603, 60–64. https://doi.org/10.1016/j.susc.2008.10.030
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| DOI
2009 | Journal Article | LibreCat-ID: 13665
Landmann, M., Rauls, E., & Schmidt, W. G. (2009). First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen. Physical Review B, 79(4). https://doi.org/10.1103/physrevb.79.045412
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2009 | Journal Article | LibreCat-ID: 13844
Savchenko, D. V., Pöppl, A., Kalabukhova, E. N., Greulich-Weber, S., Rauls, E., Schmidt, W. G., & Gerstmann, U. (2009). Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC. Materials Science Forum, 615–617, 343–346. https://doi.org/10.4028/www.scientific.net/msf.615-617.343
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| DOI
2008 | Journal Article | LibreCat-ID: 13663
Wippermann, S., & Schmidt, W. G. (2008). Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array. Surface Science, 603, 247–250. https://doi.org/10.1016/j.susc.2008.11.013
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2008 | Journal Article | LibreCat-ID: 13666
Wippermann, S., & Schmidt, W. G. (2008). Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles. Physical Review B, 78(23). https://doi.org/10.1103/physrevb.78.235439
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| DOI
2008 | Journal Article | LibreCat-ID: 13668
Rauls, E., & Schmidt, W. G. (2008). Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110). Journal of Physical Chemistry C, 112, 11490–11494. https://doi.org/10.1021/jp8037297
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| DOI
2008 | Journal Article | LibreCat-ID: 13669
Rauls, E., Dijkstra, S. J., & Schmidt, W. G. (2008). Atomic structure and energetics of thec-GaN(001) surface. Physical Review B, 78(11). https://doi.org/10.1103/physrevb.78.113302
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2008 | Journal Article | LibreCat-ID: 13670
Rauls, E., Blankenburg, S., & Schmidt, W. G. (2008). DFT calculations of adenine adsorption on coin metal (110) surfaces. Surface Science, 602, 2170–2174. https://doi.org/10.1016/j.susc.2008.04.029
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2008 | Journal Article | LibreCat-ID: 13671
Hermann, A., Schmidt, W. G., & Schwerdtfeger, P. (2008). Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects. Physical Review Letters, 100(20). https://doi.org/10.1103/physrevlett.100.207403
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2008 | Journal Article | LibreCat-ID: 13672
Hermann, A., Schwerdtfeger, P., & Schmidt, W. G. (2008). Theoretical study of the localization of excess electrons at the surface of ice. Journal of Physics: Condensed Matter, 20. https://doi.org/10.1088/0953-8984/20/22/225003
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2008 | Journal Article | LibreCat-ID: 13673
Rakel, M., Cobet, C., Esser, N., Fuchs, F., Bechstedt, F., Goldhahn, R., … Schaff, W. (2008). GaN and InN conduction-band states studied by ellipsometry. Physical Review B, 77(11). https://doi.org/10.1103/physrevb.77.115120
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| DOI
2008 | Journal Article | LibreCat-ID: 13674
Wippermann, S., Koch, N., & Schmidt, W. G. (2008). Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects. Physical Review Letters, 100(10). https://doi.org/10.1103/physrevlett.100.106802
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| DOI
2008 | Journal Article | LibreCat-ID: 13675
Lange, B., & Schmidt, W. G. (2008). Ammonia adsorption on Cl/Si(001): First-principles calculations. Surface Science, 602, 1207–1211. https://doi.org/10.1016/j.susc.2008.01.024
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| DOI
2008 | Journal Article | LibreCat-ID: 13676
Schmidt, W. G., Albrecht, M., Wippermann, S., Blankenburg, S., Rauls, E., Fuchs, F., … Hermann, A. (2008). LiNbO3ground- and excited-state properties from first-principles calculations. Physical Review B, 77. https://doi.org/10.1103/physrevb.77.035106
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2007 | Journal Article | LibreCat-ID: 13677
Thierfelder, C., & Schmidt, W. G. (2007). Ethanol adsorbed on ice: A first-principles study. Physical Review B, 76(19). https://doi.org/10.1103/physrevb.76.195426
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2007 | Journal Article | LibreCat-ID: 13678
Blankenburg, S., & Schmidt, W. G. (2007). Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer. Physical Review Letters, 99(19). https://doi.org/10.1103/physrevlett.99.196107
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| DOI
2007 | Journal Article | LibreCat-ID: 13680
Blankenburg, S., & Schmidt, W. G. (2007). Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110). Nanotechnology, 18. https://doi.org/10.1088/0957-4484/18/42/424030
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| DOI
2007 | Journal Article | LibreCat-ID: 13681
Wippermann, S., Schmidt, W. G., Calzolari, A., Nardelli, M. B., Stekolnikov, A. A., Seino, K., & Bechstedt, F. (2007). Quantum conductance of In nanowires on Si(111) from first principles calculations. Surface Science, 4045–4047. https://doi.org/10.1016/j.susc.2007.04.053
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| DOI
2007 | Journal Article | LibreCat-ID: 13682
Bernholc, J., Lu, W., Nakhmanson, S. M., Hahn, P. H., Meunier, V., Buongiorno Nardelli, M., & Schmidt, W. G. (2007). Atomic scale design of nanostructures. Molecular Physics, 147–156. https://doi.org/10.1080/00268970701189186
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| DOI
2007 | Journal Article | LibreCat-ID: 13683
Stekolnikov, A. A., Seino, K., Bechstedt, F., Wippermann, S., Schmidt, W. G., Calzolari, A., & Nardelli, M. B. (2007). Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance. Physical Review Letters, 98(2). https://doi.org/10.1103/physrevlett.98.026105
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| DOI
2006 | Journal Article | LibreCat-ID: 13684
Letzig, T., Willig, F., Hahn, P. H., & Schmidt, W. G. (2006). Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface. Physical Review B, 74(24). https://doi.org/10.1103/physrevb.74.245307
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| DOI
2006 | Journal Article | LibreCat-ID: 13685
Preuss, M., Bechstedt, F., Schmidt, W. G., Sochos, J., Schröter, B., & Richter, W. (2006). 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, 74(23). https://doi.org/10.1103/physrevb.74.235406
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| DOI
2006 | Journal Article | LibreCat-ID: 13686
Schmidt, W. G., Seino, K., Preuss, M., Hermann, A., Ortmann, F., & Bechstedt, F. (2006). Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction. Applied Physics A, 85, 387–397. https://doi.org/10.1007/s00339-006-3691-0
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| DOI
2006 | Journal Article | LibreCat-ID: 13688
Blankenburg, S., & Schmidt, W. G. (2006). Adsorption of phenylglycine on copper: Density functional calculations. Physical Review B, 74(15). https://doi.org/10.1103/physrevb.74.155419
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| DOI
2006 | Journal Article | LibreCat-ID: 13689
Preuss, M., Miotto, R., Bechstedt, F., Rada, T., Richardson, N. V., & Schmidt, W. G. (2006). Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS. Physical Review B, 74(11). https://doi.org/10.1103/physrevb.74.115402
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2006 | Journal Article | LibreCat-ID: 13690
Thierfelder, C., Hermann, A., Schwerdtfeger, P., & Schmidt, W. G. (2006). Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations. Physical Review B, 74(4). https://doi.org/10.1103/physrevb.74.045422
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2006 | Journal Article | LibreCat-ID: 13691
Biering, S., Hermann, A., & Schmidt, W. G. (2006). Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions. Physical Review B, 73(23). https://doi.org/10.1103/physrevb.73.235429
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| DOI
2006 | Journal Article | LibreCat-ID: 13692
Schmidt, W. G., Hermann, A., Fuchs, F., & Bechstedt, F. (2006). Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation. Current Applied Physics, 6, 525–530. https://doi.org/10.1016/j.cap.2005.11.069
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| DOI
2006 | Journal Article | LibreCat-ID: 13693
Schmidt, W. G., & Seino, K. (2006). Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping. Current Applied Physics, 6, 331–333. https://doi.org/10.1016/j.cap.2005.11.012
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| DOI
2006 | Journal Article | LibreCat-ID: 13694
Seino, K., Schmidt, W. G., & Ohtake, A. (2006). Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions. Physical Review B, 73(3). https://doi.org/10.1103/physrevb.73.035317
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| DOI
2006 | Journal Article | LibreCat-ID: 13695
Hahn, P. H., Schmidt, W. G., & Bechstedt, F. (2006). 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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| DOI
2006 | Journal Article | LibreCat-ID: 13845
Ortmann, F., Bechstedt, F., & Schmidt, W. G. (2006). Semiempirical van der Waals correction to the density functional description of solids and molecular structures. Physical Review B, 73(20). https://doi.org/10.1103/physrevb.73.205101
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2005 | Journal Article | LibreCat-ID: 13696
Bechstedt, F., Seino, K., Hahn, P. H., & Schmidt, W. G. (2005). Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl. Physical Review B, 72(24). https://doi.org/10.1103/physrevb.72.245114
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| DOI
2005 | Journal Article | LibreCat-ID: 13697
Ortmann, F., Schmidt, W. G., & Bechstedt, F. (2005). Attracted by Long-Range Electron Correlation: Adenine on Graphite. Physical Review Letters, 95(18). https://doi.org/10.1103/physrevlett.95.186101
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| DOI
2005 | Journal Article | LibreCat-ID: 13698
Schmidt, W. G. (2005). Calculation of reflectance anisotropy for semiconductor surface exploration. Physica Status Solidi (B), 242(13), 2751–2764. https://doi.org/10.1002/pssb.200541112
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| DOI
2005 | Journal Article | LibreCat-ID: 13699
Hahn, P. H., Seino, K., Schmidt, W. G., Furthmüller, J., & Bechstedt, F. (2005). Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN. Physica Status Solidi (B), 242(13), 2720–2728. https://doi.org/10.1002/pssb.200541128
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| DOI
2005 | Journal Article | LibreCat-ID: 13700
Esser, N., Rakel, M., Cobet, C., Schmidt, W. G., Braun, W., & Cardona, M. (2005). VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations. Physica Status Solidi (B), 242(13), 2601–2609. https://doi.org/10.1002/pssb.200541315
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| DOI
2005 | Journal Article | LibreCat-ID: 13701
Fuchs, F., Schmidt, W. G., & Bechstedt, F. (2005). Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations. The Journal of Physical Chemistry B, 109, 17649–17653. https://doi.org/10.1021/jp0501087
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| DOI
2005 | Journal Article | LibreCat-ID: 13702
Fuchs, F., Schmidt, W. G., & Bechstedt, F. (2005). Understanding the optical anisotropy of oxidized Si(001) surfaces. Physical Review B, 72(7). https://doi.org/10.1103/physrevb.72.075353
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| DOI
2005 | Journal Article | LibreCat-ID: 13703
Preuss, M., Schmidt, W. G., & Bechstedt, F. (2005). Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110). Physical Review Letters, 94. https://doi.org/10.1103/physrevlett.94.236102
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2005 | Journal Article | LibreCat-ID: 13704
Seino, K., & Schmidt, W. G. (2005). Conformation-selective adsorption of 2,3-butanediol on Si(001). Surface Science, 191–196. https://doi.org/10.1016/j.susc.2005.04.029
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| DOI
2005 | Journal Article | LibreCat-ID: 13705
Leitsmann, R., Schmidt, W. G., Hahn, P. H., & Bechstedt, F. (2005). Second-harmonic polarizability including electron-hole attraction from band-structure theory. Physical Review B, 71. https://doi.org/10.1103/physrevb.71.195209
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| DOI
2005 | Journal Article | LibreCat-ID: 13706
Hermann, A., Schmidt, W. G., & Bechstedt, F. (2005). Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study. Physical Review B, 71. https://doi.org/10.1103/physrevb.71.153311
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| DOI
2005 | Journal Article | LibreCat-ID: 13707
Hermann, A., Schmidt, W. G., & Bechstedt, F. (2005). Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response. The Journal of Physical Chemistry B, 109, 7928–7933. https://doi.org/10.1021/jp0500182
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| DOI
2005 | Journal Article | LibreCat-ID: 13709
Hahn, P. H., Schmidt, W. G., Seino, K., Preuss, M., Bechstedt, F., & Bernholc, J. (2005). Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding. Physical Review Letters, 94, 037404. https://doi.org/10.1103/physrevlett.94.037404
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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
2004 | Journal Article | LibreCat-ID: 4272
Zeiser, A., Bücking, N., Götte, J., Förstner, J., Hahn, P., Schmidt, W. G., & Knorr, A. (2004). Dynamics of the phonon-induced electron transfer between semiconductor bulk and surface states. Physica Status Solidi (b), 241(12), R60–R62. https://doi.org/10.1002/pssb.200409060
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| Files available
| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
2003 | Journal Article | LibreCat-ID: 13731
Seino, K., Schmidt, W. G., Furthmüller, J., & Bechstedt, F. (2003). Chemisorption of pyrrole (C4H4NH) on Si(001) calculated from first-principles. Surface Science, 532–535, 988–992. https://doi.org/10.1016/s0039-6028(03)00159-6
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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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| DOI
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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| DOI
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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| DOI
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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| DOI
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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| DOI
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
LibreCat
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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
LibreCat
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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
LibreCat
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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
LibreCat
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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
LibreCat
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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
LibreCat
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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
LibreCat
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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
LibreCat
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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
LibreCat
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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
LibreCat
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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
LibreCat
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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
LibreCat
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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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1999 | Journal Article | LibreCat-ID: 13764
Bechstedt, F., Adolph, B., & Schmidt, W. G. (1999). Ab initio calculation of linear and nonlinear optical properties of semiconductor structures. Brazilian Journal of Physics, 29(4). https://doi.org/10.1590/s0103-97331999000400007
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1999 | Journal Article | LibreCat-ID: 13765
Schmidt, W. G., FATTEBERT, J. L., BERNHOLC, J., & BECHSTEDT, F. (1999). SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001). Surface Review and Letters, 6(6), 1159–1165. https://doi.org/10.1142/s0218625x99001281
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1999 | Journal Article | LibreCat-ID: 13766
Bechstedt, F., Pulci, O., & Schmidt, W. G. (1999). Theoretical Aspects of the Optical Response of Semiconductor Surfaces. Physica Status Solidi (A), 175(5), 5–16. https://doi.org/10.1002/(sici)1521-396x(199909)175:1<5::aid-pssa5>3.0.co;2-9
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