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343 Publications
2009 | Journal Article | LibreCat-ID: 13662
Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions
S. Blankenburg, W.G. Schmidt, Journal of Physics: Condensed Matter 21 (2009).
LibreCat
| DOI
S. Blankenburg, W.G. Schmidt, Journal of Physics: Condensed Matter 21 (2009).
2009 | Journal Article | LibreCat-ID: 13664
Water adsorption on hydrogenated Si(111) surfaces
B. Lange, R. Posner, K. Pohl, C. Thierfelder, G. Grundmeier, S. Blankenburg, W.G. Schmidt, Surface Science 603 (2009) 60–64.
LibreCat
| DOI
B. Lange, R. Posner, K. Pohl, C. Thierfelder, G. Grundmeier, S. Blankenburg, W.G. Schmidt, Surface Science 603 (2009) 60–64.
2009 | Journal Article | LibreCat-ID: 13665
First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 79 (2009).
LibreCat
| DOI
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 79 (2009).
2009 | Journal Article | LibreCat-ID: 13844
Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC
D.V. Savchenko, A. Pöppl, E.N. Kalabukhova, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Materials Science Forum 615–617 (2009) 343–346.
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| DOI
D.V. Savchenko, A. Pöppl, E.N. Kalabukhova, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Materials Science Forum 615–617 (2009) 343–346.
2008 | Journal Article | LibreCat-ID: 13663
Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array
S. Wippermann, W.G. Schmidt, Surface Science 603 (2008) 247–250.
LibreCat
| DOI
S. Wippermann, W.G. Schmidt, Surface Science 603 (2008) 247–250.
2008 | Journal Article | LibreCat-ID: 13666
Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles
S. Wippermann, W.G. Schmidt, Physical Review B 78 (2008).
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| DOI
S. Wippermann, W.G. Schmidt, Physical Review B 78 (2008).
2008 | Journal Article | LibreCat-ID: 13668
Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110)
E. Rauls, W.G. Schmidt, Journal of Physical Chemistry C 112 (2008) 11490–11494.
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| DOI
E. Rauls, W.G. Schmidt, Journal of Physical Chemistry C 112 (2008) 11490–11494.
2008 | Journal Article | LibreCat-ID: 13669
Atomic structure and energetics of thec-GaN(001) surface
E. Rauls, S.J. Dijkstra, W.G. Schmidt, Physical Review B 78 (2008).
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| DOI
E. Rauls, S.J. Dijkstra, W.G. Schmidt, Physical Review B 78 (2008).
2008 | Journal Article | LibreCat-ID: 13670
DFT calculations of adenine adsorption on coin metal (110) surfaces
E. Rauls, S. Blankenburg, W.G. Schmidt, Surface Science 602 (2008) 2170–2174.
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| DOI
E. Rauls, S. Blankenburg, W.G. Schmidt, Surface Science 602 (2008) 2170–2174.
2008 | Journal Article | LibreCat-ID: 13671
Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects
A. Hermann, W.G. Schmidt, P. Schwerdtfeger, Physical Review Letters 100 (2008).
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| DOI
A. Hermann, W.G. Schmidt, P. Schwerdtfeger, Physical Review Letters 100 (2008).
2008 | Journal Article | LibreCat-ID: 13672
Theoretical study of the localization of excess electrons at the surface of ice
A. Hermann, P. Schwerdtfeger, W.G. Schmidt, Journal of Physics: Condensed Matter 20 (2008).
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| DOI
A. Hermann, P. Schwerdtfeger, W.G. Schmidt, Journal of Physics: Condensed Matter 20 (2008).
2008 | Journal Article | LibreCat-ID: 13673
GaN and InN conduction-band states studied by ellipsometry
M. Rakel, C. Cobet, N. Esser, F. Fuchs, F. Bechstedt, R. Goldhahn, W.G. Schmidt, W. Schaff, Physical Review B 77 (2008).
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| DOI
M. Rakel, C. Cobet, N. Esser, F. Fuchs, F. Bechstedt, R. Goldhahn, W.G. Schmidt, W. Schaff, Physical Review B 77 (2008).
2008 | Journal Article | LibreCat-ID: 13674
Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects
S. Wippermann, N. Koch, W.G. Schmidt, Physical Review Letters 100 (2008).
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| DOI
S. Wippermann, N. Koch, W.G. Schmidt, Physical Review Letters 100 (2008).
2008 | Journal Article | LibreCat-ID: 13675
Ammonia adsorption on Cl/Si(001): First-principles calculations
B. Lange, W.G. Schmidt, Surface Science 602 (2008) 1207–1211.
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| DOI
B. Lange, W.G. Schmidt, Surface Science 602 (2008) 1207–1211.
2008 | Journal Article | LibreCat-ID: 13676
LiNbO3ground- and excited-state properties from first-principles calculations
W.G. Schmidt, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, F. Fuchs, C. Rödl, J. Furthmüller, A. Hermann, Physical Review B 77 (2008).
LibreCat
| DOI
W.G. Schmidt, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, F. Fuchs, C. Rödl, J. Furthmüller, A. Hermann, Physical Review B 77 (2008).
2007 | Journal Article | LibreCat-ID: 13677
Ethanol adsorbed on ice: A first-principles study
C. Thierfelder, W.G. Schmidt, Physical Review B 76 (2007).
LibreCat
| DOI
C. Thierfelder, W.G. Schmidt, Physical Review B 76 (2007).
2007 | Journal Article | LibreCat-ID: 13678
Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer
S. Blankenburg, W.G. Schmidt, Physical Review Letters 99 (2007).
LibreCat
| DOI
S. Blankenburg, W.G. Schmidt, Physical Review Letters 99 (2007).
2007 | Journal Article | LibreCat-ID: 13680
Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)
S. Blankenburg, W.G. Schmidt, Nanotechnology 18 (2007).
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| DOI
S. Blankenburg, W.G. Schmidt, Nanotechnology 18 (2007).
2007 | Journal Article | LibreCat-ID: 13681
Quantum conductance of In nanowires on Si(111) from first principles calculations
S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, A.A. Stekolnikov, K. Seino, F. Bechstedt, Surface Science (2007) 4045–4047.
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| DOI
S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, A.A. Stekolnikov, K. Seino, F. Bechstedt, Surface Science (2007) 4045–4047.
2007 | Journal Article | LibreCat-ID: 13682
Atomic scale design of nanostructures
J. Bernholc, W. Lu, S.M. Nakhmanson, P.H. Hahn, V. Meunier, M. Buongiorno Nardelli, W.G. Schmidt, Molecular Physics (2007) 147–156.
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| DOI
J. Bernholc, W. Lu, S.M. Nakhmanson, P.H. Hahn, V. Meunier, M. Buongiorno Nardelli, W.G. Schmidt, Molecular Physics (2007) 147–156.
2007 | Journal Article | LibreCat-ID: 13683
Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance
A.A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, Physical Review Letters 98 (2007).
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| DOI
A.A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, Physical Review Letters 98 (2007).
2006 | Journal Article | LibreCat-ID: 13684
Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface
T. Letzig, F. Willig, P.H. Hahn, W.G. Schmidt, Physical Review B 74 (2006).
LibreCat
| DOI
T. Letzig, F. Willig, P.H. Hahn, W.G. Schmidt, Physical Review B 74 (2006).
2006 | Journal Article | LibreCat-ID: 13685
Clean and pyrrole-functionalized Si- and C-terminated SiC surfaces: First-principles calculations of geometry and energetics compared with LEED and XPS
M. Preuss, F. Bechstedt, W.G. Schmidt, J. Sochos, B. Schröter, W. Richter, Physical Review B 74 (2006).
LibreCat
| DOI
M. Preuss, F. Bechstedt, W.G. Schmidt, J. Sochos, B. Schröter, W. Richter, Physical Review B 74 (2006).
2006 | Journal Article | LibreCat-ID: 13686
Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction
W.G. Schmidt, K. Seino, M. Preuss, A. Hermann, F. Ortmann, F. Bechstedt, Applied Physics A 85 (2006) 387–397.
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| DOI
W.G. Schmidt, K. Seino, M. Preuss, A. Hermann, F. Ortmann, F. Bechstedt, Applied Physics A 85 (2006) 387–397.
2006 | Journal Article | LibreCat-ID: 13688
Adsorption of phenylglycine on copper: Density functional calculations
S. Blankenburg, W.G. Schmidt, Physical Review B 74 (2006).
LibreCat
| DOI
S. Blankenburg, W.G. Schmidt, Physical Review B 74 (2006).
2006 | Journal Article | LibreCat-ID: 13689
Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS
M. Preuss, R. Miotto, F. Bechstedt, T. Rada, N.V. Richardson, W.G. Schmidt, Physical Review B 74 (2006).
LibreCat
| DOI
M. Preuss, R. Miotto, F. Bechstedt, T. Rada, N.V. Richardson, W.G. Schmidt, Physical Review B 74 (2006).
2006 | Journal Article | LibreCat-ID: 13690
Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations
C. Thierfelder, A. Hermann, P. Schwerdtfeger, W.G. Schmidt, Physical Review B 74 (2006).
LibreCat
| DOI
C. Thierfelder, A. Hermann, P. Schwerdtfeger, W.G. Schmidt, Physical Review B 74 (2006).
2006 | Journal Article | LibreCat-ID: 13691
Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions
S. Biering, A. Hermann, W.G. Schmidt, Physical Review B 73 (2006).
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| DOI
S. Biering, A. Hermann, W.G. Schmidt, Physical Review B 73 (2006).
2006 | Journal Article | LibreCat-ID: 13692
Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation
W.G. Schmidt, A. Hermann, F. Fuchs, F. Bechstedt, Current Applied Physics 6 (2006) 525–530.
LibreCat
| DOI
W.G. Schmidt, A. Hermann, F. Fuchs, F. Bechstedt, Current Applied Physics 6 (2006) 525–530.
2006 | Journal Article | LibreCat-ID: 13693
Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping
W.G. Schmidt, K. Seino, Current Applied Physics 6 (2006) 331–333.
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| DOI
W.G. Schmidt, K. Seino, Current Applied Physics 6 (2006) 331–333.
2006 | Journal Article | LibreCat-ID: 13694
Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions
K. Seino, W.G. Schmidt, A. Ohtake, Physical Review B 73 (2006).
LibreCat
| DOI
K. Seino, W.G. Schmidt, A. Ohtake, Physical Review B 73 (2006).
2006 | Journal Article | LibreCat-ID: 13695
Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics
P.H. Hahn, W.G. Schmidt, F. Bechstedt, Physical Review B 72 (2006).
LibreCat
| DOI
P.H. Hahn, W.G. Schmidt, F. Bechstedt, Physical Review B 72 (2006).
2006 | Journal Article | LibreCat-ID: 13845
Semiempirical van der Waals correction to the density functional description of solids and molecular structures
F. Ortmann, F. Bechstedt, W.G. Schmidt, Physical Review B 73 (2006).
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| DOI
F. Ortmann, F. Bechstedt, W.G. Schmidt, Physical Review B 73 (2006).
2005 | Journal Article | LibreCat-ID: 13696
Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl
F. Bechstedt, K. Seino, P.H. Hahn, W.G. Schmidt, Physical Review B 72 (2005).
LibreCat
| DOI
F. Bechstedt, K. Seino, P.H. Hahn, W.G. Schmidt, Physical Review B 72 (2005).
2005 | Journal Article | LibreCat-ID: 13697
Attracted by Long-Range Electron Correlation: Adenine on Graphite
F. Ortmann, W.G. Schmidt, F. Bechstedt, Physical Review Letters 95 (2005).
LibreCat
| DOI
F. Ortmann, W.G. Schmidt, F. Bechstedt, Physical Review Letters 95 (2005).
2005 | Journal Article | LibreCat-ID: 13698
Calculation of reflectance anisotropy for semiconductor surface exploration
W.G. Schmidt, Physica Status Solidi (B) 242 (2005) 2751–2764.
LibreCat
| DOI
W.G. Schmidt, Physica Status Solidi (B) 242 (2005) 2751–2764.
2005 | Journal Article | LibreCat-ID: 13699
Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN
P.H. Hahn, K. Seino, W.G. Schmidt, J. Furthmüller, F. Bechstedt, Physica Status Solidi (B) 242 (2005) 2720–2728.
LibreCat
| DOI
P.H. Hahn, K. Seino, W.G. Schmidt, J. Furthmüller, F. Bechstedt, Physica Status Solidi (B) 242 (2005) 2720–2728.
2005 | Journal Article | LibreCat-ID: 13700
VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations
N. Esser, M. Rakel, C. Cobet, W.G. Schmidt, W. Braun, M. Cardona, Physica Status Solidi (B) 242 (2005) 2601–2609.
LibreCat
| DOI
N. Esser, M. Rakel, C. Cobet, W.G. Schmidt, W. Braun, M. Cardona, Physica Status Solidi (B) 242 (2005) 2601–2609.
2005 | Journal Article | LibreCat-ID: 13701
Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations
F. Fuchs, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 109 (2005) 17649–17653.
LibreCat
| DOI
F. Fuchs, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 109 (2005) 17649–17653.
2005 | Journal Article | LibreCat-ID: 13702
Understanding the optical anisotropy of oxidized Si(001) surfaces
F. Fuchs, W.G. Schmidt, F. Bechstedt, Physical Review B 72 (2005).
LibreCat
| DOI
F. Fuchs, W.G. Schmidt, F. Bechstedt, Physical Review B 72 (2005).
2005 | Journal Article | LibreCat-ID: 13703
Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110)
M. Preuss, W.G. Schmidt, F. Bechstedt, Physical Review Letters 94 (2005).
LibreCat
| DOI
M. Preuss, W.G. Schmidt, F. Bechstedt, Physical Review Letters 94 (2005).
2005 | Journal Article | LibreCat-ID: 13704
Conformation-selective adsorption of 2,3-butanediol on Si(001)
K. Seino, W.G. Schmidt, Surface Science (2005) 191–196.
LibreCat
| DOI
K. Seino, W.G. Schmidt, Surface Science (2005) 191–196.
2005 | Journal Article | LibreCat-ID: 13705
Second-harmonic polarizability including electron-hole attraction from band-structure theory
R. Leitsmann, W.G. Schmidt, P.H. Hahn, F. Bechstedt, Physical Review B 71 (2005).
LibreCat
| DOI
R. Leitsmann, W.G. Schmidt, P.H. Hahn, F. Bechstedt, Physical Review B 71 (2005).
2005 | Journal Article | LibreCat-ID: 13706
Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study
A. Hermann, W.G. Schmidt, F. Bechstedt, Physical Review B 71 (2005).
LibreCat
| DOI
A. Hermann, W.G. Schmidt, F. Bechstedt, Physical Review B 71 (2005).
2005 | Journal Article | LibreCat-ID: 13707
Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response
A. Hermann, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 109 (2005) 7928–7933.
LibreCat
| DOI
A. Hermann, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 109 (2005) 7928–7933.
2005 | Journal Article | LibreCat-ID: 13709
Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding
P.H. Hahn, W.G. Schmidt, K. Seino, M. Preuss, F. Bechstedt, J. Bernholc, Physical Review Letters 94 (2005) 037404.
LibreCat
| DOI
P.H. Hahn, W.G. Schmidt, K. Seino, M. Preuss, F. Bechstedt, J. Bernholc, Physical Review Letters 94 (2005) 037404.
2005 | Journal Article | LibreCat-ID: 13846
Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics
P.H. Hahn, W.G. Schmidt, F. Bechstedt, Physical Review B 72 (2005).
LibreCat
| DOI
P.H. Hahn, W.G. Schmidt, F. Bechstedt, Physical Review B 72 (2005).
2004 | Journal Article | LibreCat-ID: 13710
Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase
A. Ohtake, P. Kocán, K. Seino, W.G. Schmidt, N. Koguchi, Physical Review Letters 93 (2004) 266101.
LibreCat
| DOI
A. Ohtake, P. Kocán, K. Seino, W.G. Schmidt, N. Koguchi, Physical Review Letters 93 (2004) 266101.
2004 | Journal Article | LibreCat-ID: 13711
H2O on Si(001): surface optical anisotropy from first-principles calculations
K. Seino, W.G. Schmidt, Surface Science 571 (2004) 157–160.
LibreCat
| DOI
K. Seino, W.G. Schmidt, Surface Science 571 (2004) 157–160.
2004 | Journal Article | LibreCat-ID: 13712
Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions
W.G. Schmidt, F. Fuchs, A. Hermann, K. Seino, F. Bechstedt, R. Paßmann, M. Wahl, M. Gensch, K. Hinrichs, N. Esser, S. Wang, W. Lu, J. Bernholc, Journal of Physics: Condensed Matter 16 (2004) S4323–S4334.
LibreCat
| DOI
W.G. Schmidt, F. Fuchs, A. Hermann, K. Seino, F. Bechstedt, R. Paßmann, M. Wahl, M. Gensch, K. Hinrichs, N. Esser, S. Wang, W. Lu, J. Bernholc, Journal of Physics: Condensed Matter 16 (2004) S4323–S4334.
2004 | Journal Article | LibreCat-ID: 13713
The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra
M. Palummo, O. Pulci, R.D. Sole, A. Marini, P. Hahn, W.G. Schmidt, F. Bechstedt, Journal of Physics: Condensed Matter 16 (2004) S4313–S4322.
LibreCat
| DOI
M. Palummo, O. Pulci, R.D. Sole, A. Marini, P. Hahn, W.G. Schmidt, F. Bechstedt, Journal of Physics: Condensed Matter 16 (2004) S4313–S4322.
2004 | Journal Article | LibreCat-ID: 13715
Methylchloride adsorbed on Si(001): an ab initio study
M. Preuss, W.G. Schmidt, K. Seino, F. Bechstedt, Applied Surface Science 234 (2004) 155–161.
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| DOI
M. Preuss, W.G. Schmidt, K. Seino, F. Bechstedt, Applied Surface Science 234 (2004) 155–161.
2004 | Journal Article | LibreCat-ID: 13716
Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy
K. Fleischer, S. Chandola, N. Esser, W. Richter, J.. McGilp, W.G. Schmidt, S. Wang, W. Lu, J. Bernholc, Applied Surface Science 234 (2004) 302–306.
LibreCat
| DOI
K. Fleischer, S. Chandola, N. Esser, W. Richter, J.. McGilp, W.G. Schmidt, S. Wang, W. Lu, J. Bernholc, Applied Surface Science 234 (2004) 302–306.
2004 | Journal Article | LibreCat-ID: 13717
Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection
K. Seino, W.G. Schmidt, F. Bechstedt, Physical Review Letters 93 (2004).
LibreCat
| DOI
K. Seino, W.G. Schmidt, F. Bechstedt, Physical Review Letters 93 (2004).
2004 | Journal Article | LibreCat-ID: 13718
Methyl Chloride Adsorption on Si(001)−Electronic Structure
M. Preuss, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 108 (2004) 7809–7813.
LibreCat
| DOI
M. Preuss, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 108 (2004) 7809–7813.
2004 | Journal Article | LibreCat-ID: 13719
Organic modification of surface electronic properties: A first-principles study of uracil on Si(001)
K. Seino, W.G. Schmidt, F. Bechstedt, Physical Review B 69 (2004) 245309.
LibreCat
| DOI
K. Seino, W.G. Schmidt, F. Bechstedt, Physical Review B 69 (2004) 245309.
2004 | Journal Article | LibreCat-ID: 13720
Calculation of surface optical properties: from qualitative understanding to quantitative predictions
W.G. Schmidt, K. Seino, P.H. Hahn, F. Bechstedt, W. Lu, S. Wang, J. Bernholc, Thin Solid Films 455–456 (2004) 764–771.
LibreCat
| DOI
W.G. Schmidt, K. Seino, P.H. Hahn, F. Bechstedt, W. Lu, S. Wang, J. Bernholc, Thin Solid Films 455–456 (2004) 764–771.
2004 | Journal Article | LibreCat-ID: 13721
Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions
K. Seino, W.G. Schmidt, Surface Science 548 (2004) 183–186.
LibreCat
| DOI
K. Seino, W.G. Schmidt, Surface Science 548 (2004) 183–186.
2004 | Journal Article | LibreCat-ID: 13722
Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials
M. Preuss, W.G. Schmidt, K. Seino, J. Furthmüller, F. Bechstedt, Journal of Computational Chemistry 25 (2004) 112–122.
LibreCat
| DOI
M. Preuss, W.G. Schmidt, K. Seino, J. Furthmüller, F. Bechstedt, Journal of Computational Chemistry 25 (2004) 112–122.
2004 | Journal Article | LibreCat-ID: 4272
Dynamics of the phonon-induced electron transfer between semiconductor bulk and surface states
A. Zeiser, N. Bücking, J. Götte, J. Förstner, P. Hahn, W.G. Schmidt, A. Knorr, Physica Status Solidi (b) 241 (2004) R60–R62.
LibreCat
| Files available
| DOI
A. Zeiser, N. Bücking, J. Götte, J. Förstner, P. Hahn, W.G. Schmidt, A. Knorr, Physica Status Solidi (b) 241 (2004) R60–R62.
2003 | Journal Article | LibreCat-ID: 13723
Many-body and overlayer effects on surface optical properties
F. Bechstedt, R. Del Sole, S. Glutsch, P.H. Hahn, O. Pulci, W.G. Schmidt, Physica Status Solidi (B) 240 (2003) 469–479.
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| DOI
F. Bechstedt, R. Del Sole, S. Glutsch, P.H. Hahn, O. Pulci, W.G. Schmidt, Physica Status Solidi (B) 240 (2003) 469–479.
2003 | Journal Article | LibreCat-ID: 13724
Gallium-rich reconstructions on GaAs(001)
M. Pristovsek, S. Tsukamoto, A. Ohtake, N. Koguchi, B.G. Orr, W.G. Schmidt, J. Bernholc, Physica Status Solidi (B) 240 (2003) 91–98.
LibreCat
| DOI
M. Pristovsek, S. Tsukamoto, A. Ohtake, N. Koguchi, B.G. Orr, W.G. Schmidt, J. Bernholc, Physica Status Solidi (B) 240 (2003) 91–98.
2003 | Journal Article | LibreCat-ID: 13725
Cycloaddition reaction versus dimer cleavage at theSi(001):C5H8interface
W. Lu, W.G. Schmidt, J. Bernholc, Physical Review B 68 (2003) 115327.
LibreCat
| DOI
W. Lu, W.G. Schmidt, J. Bernholc, Physical Review B 68 (2003) 115327.
2003 | Journal Article | LibreCat-ID: 13726
Layer-by-layer analysis of surface reflectance anisotropy in semiconductors
C. Castillo, B.S. Mendoza, W.G. Schmidt, P.H. Hahn, F. Bechstedt, Physical Review B 68 (2003) 041310(R).
LibreCat
| DOI
C. Castillo, B.S. Mendoza, W.G. Schmidt, P.H. Hahn, F. Bechstedt, Physical Review B 68 (2003) 041310(R).
2003 | Journal Article | LibreCat-ID: 13727
Nanowire-induced optical anisotropy of the Si(111)-In surface
S. Wang, W. Lu, W.G. Schmidt, J. Bernholc, Physical Review B 68 (2003) 035329.
LibreCat
| DOI
S. Wang, W. Lu, W.G. Schmidt, J. Bernholc, Physical Review B 68 (2003) 035329.
2003 | Journal Article | LibreCat-ID: 13728
P-richGaP(001)(2×1)/(2×2)surface: A hydrogen-adsorbate structure determined from first-principles calculations
P.H. Hahn, W.G. Schmidt, F. Bechstedt, O. Pulci, R. Del Sole, Physical Review B 68 (2003) 033311.
LibreCat
| DOI
P.H. Hahn, W.G. Schmidt, F. Bechstedt, O. Pulci, R. Del Sole, Physical Review B 68 (2003) 033311.
2003 | Journal Article | LibreCat-ID: 13729
Pyrrole (C4H4NH) and Polypyrrole Functionalized Silicon Surfaces Calculated from First Principles
W.G. Schmidt, K. Seino, Surface Review and Letters 10 (2003) 221–226.
LibreCat
| DOI
W.G. Schmidt, K. Seino, Surface Review and Letters 10 (2003) 221–226.
2003 | Journal Article | LibreCat-ID: 13730
Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation
P.H. Hahn, W.G. Schmidt, Surface Review and Letters 10 (2003) 163–167.
LibreCat
| DOI
P.H. Hahn, W.G. Schmidt, Surface Review and Letters 10 (2003) 163–167.
2003 | Journal Article | LibreCat-ID: 13731
Chemisorption of pyrrole (C4H4NH) on Si(001) calculated from first-principles
K. Seino, W.G. Schmidt, J. Furthmüller, F. Bechstedt, Surface Science 532–535 (2003) 988–992.
LibreCat
| DOI
K. Seino, W.G. Schmidt, J. Furthmüller, F. Bechstedt, Surface Science 532–535 (2003) 988–992.
2003 | Journal Article | LibreCat-ID: 13732
Uracil Adsorbed on Si(001): Structure and Energetics
K. Seino, W.G. Schmidt, M. Preuss, F. Bechstedt, The Journal of Physical Chemistry B 107 (2003) 5031–5035.
LibreCat
| DOI
K. Seino, W.G. Schmidt, M. Preuss, F. Bechstedt, The Journal of Physical Chemistry B 107 (2003) 5031–5035.
2003 | Journal Article | LibreCat-ID: 13733
InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure
W.G. Schmidt, P.H. Hahn, F. Bechstedt, N. Esser, P. Vogt, A. Wange, W. Richter, Physical Review Letters 90 (2003) 126101.
LibreCat
| DOI
W.G. Schmidt, P.H. Hahn, F. Bechstedt, N. Esser, P. Vogt, A. Wange, W. Richter, Physical Review Letters 90 (2003) 126101.
2003 | Journal Article | LibreCat-ID: 13734
EfficientO(N2)method to solve the Bethe-Salpeter equation
W.G. Schmidt, S. Glutsch, P.H. Hahn, F. Bechstedt, Physical Review B 67 (2003) 085307.
LibreCat
| DOI
W.G. Schmidt, S. Glutsch, P.H. Hahn, F. Bechstedt, Physical Review B 67 (2003) 085307.
2003 | Journal Article | LibreCat-ID: 13735
Chemisorption of pyrrole and polypyrrole on Si(001)
K. Seino, W.G. Schmidt, J. Furthmüller, F. Bechstedt, Physical Review B 66 (2003) 235323.
LibreCat
| DOI
K. Seino, W.G. Schmidt, J. Furthmüller, F. Bechstedt, Physical Review B 66 (2003) 235323.
2002 | Journal Article | LibreCat-ID: 13736
Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001)
W.G. Schmidt, F. Bechstedt, W. Lu, J. Bernholc, Physical Review B 66 (2002) 0855334.
LibreCat
| DOI
W.G. Schmidt, F. Bechstedt, W. Lu, J. Bernholc, Physical Review B 66 (2002) 0855334.
2002 | Journal Article | LibreCat-ID: 13737
Structure and energetics of Ga-rich GaAs() surfaces
K. Seino, W.G. Schmidt, F. Bechstedt, J. Bernholc, Surface Science 507–510 (2002) 406–410.
LibreCat
| DOI
K. Seino, W.G. Schmidt, F. Bechstedt, J. Bernholc, Surface Science 507–510 (2002) 406–410.
2002 | Journal Article | LibreCat-ID: 13738
GaAs(001) surface reconstructions: geometries, chemical bonding and optical properties
W.G. Schmidt, F. Bechstedt, J. Bernholc, Applied Surface Science 190 (2002) 264–268.
LibreCat
| DOI
W.G. Schmidt, F. Bechstedt, J. Bernholc, Applied Surface Science 190 (2002) 264–268.
2002 | Journal Article | LibreCat-ID: 13739
III-V compound semiconductor (001) surfaces
W.G. Schmidt, Applied Physics A: Materials Science & Processing 75 (2002) 89–99.
LibreCat
| DOI
W.G. Schmidt, Applied Physics A: Materials Science & Processing 75 (2002) 89–99.
2002 | Journal Article | LibreCat-ID: 13740
Bulk Excitonic Effects in Surface Optical Spectra
P.H. Hahn, W.G. Schmidt, F. Bechstedt, Physical Review Letters 88 (2002).
LibreCat
| DOI
P.H. Hahn, W.G. Schmidt, F. Bechstedt, Physical Review Letters 88 (2002).
2002 | Journal Article | LibreCat-ID: 13741
GaAs(001): Surface Structure and Optical Properties
W.G. Schmidt, F. Bechstedt, K. Fleischer, C. Cobet, N. Esser, W. Richter, J. Bernholc, G. Onida, Physica Status Solidi (A) 188 (2002) 1401–1409.
LibreCat
| DOI
W.G. Schmidt, F. Bechstedt, K. Fleischer, C. Cobet, N. Esser, W. Richter, J. Bernholc, G. Onida, Physica Status Solidi (A) 188 (2002) 1401–1409.
2002 | Journal Article | LibreCat-ID: 13742
Towards a Complete Many-Body Description: Optical Response of Real Surfaces
F. Bechstedt, W.G. Schmidt, P.H. Hahn, Physica Status Solidi (A) 188 (2002) 1383–1392.
LibreCat
| DOI
F. Bechstedt, W.G. Schmidt, P.H. Hahn, Physica Status Solidi (A) 188 (2002) 1383–1392.
2002 | Journal Article | LibreCat-ID: 13745
Theory for Modeling the Optical Properties of Surfaces
G. Onida, W.G. Schmidt, O. Pulci, M. Palummo, A. Marini, C. Hogan, R. Del Sole, Physica Status Solidi (A) 188 (2002) 1233–1242.
LibreCat
| DOI
G. Onida, W.G. Schmidt, O. Pulci, M. Palummo, A. Marini, C. Hogan, R. Del Sole, Physica Status Solidi (A) 188 (2002) 1233–1242.
2002 | Journal Article | LibreCat-ID: 13749
X-ray diffraction analysis of the gallium-rich surface of GaAs(001)
D. Paget, Y. Garreau, M. Sauvage, P. Chiaradia, R. Pinchaux, W.G. Schmidt, Physical Review B 64 (2002) 161305(R).
LibreCat
| DOI
D. Paget, Y. Garreau, M. Sauvage, P. Chiaradia, R. Pinchaux, W.G. Schmidt, Physical Review B 64 (2002) 161305(R).
2002 | Journal Article | LibreCat-ID: 13750
First-principles study of InP and GaP(001) surfaces
O. Pulci, K. Lüdge, P. Vogt, N. Esser, W.G. Schmidt, W. Richter, F. Bechstedt, Computational Materials Science (2002) 32–37.
LibreCat
| DOI
O. Pulci, K. Lüdge, P. Vogt, N. Esser, W.G. Schmidt, W. Richter, F. Bechstedt, Computational Materials Science (2002) 32–37.
2002 | Journal Article | LibreCat-ID: 13754
Terrace and step contributions to the optical anisotropy of Si(001) surfaces
W.G. Schmidt, F. Bechstedt, J. Bernholc, Physical Review B 63 (2002) 045322.
LibreCat
| DOI
W.G. Schmidt, F. Bechstedt, J. Bernholc, Physical Review B 63 (2002) 045322.
2002 | Journal Article | LibreCat-ID: 13755
Optical Anisotropy of theSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model
W. Lu, W.G. Schmidt, E.L. Briggs, J. Bernholc, Physical Review Letters 85 (2002) 4381–4384.
LibreCat
| DOI
W. Lu, W.G. Schmidt, E.L. Briggs, J. Bernholc, Physical Review Letters 85 (2002) 4381–4384.
2001 | Journal Article | LibreCat-ID: 13751
Atomic structure and optical anisotropy of III–V(001) surfaces
N. Esser, W.G. Schmidt, C. Cobet, K. Fleischer, A.I. Shkrebtii, B.O. Fimland, W. Richter, Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures 19 (2001).
LibreCat
| DOI
N. Esser, W.G. Schmidt, C. Cobet, K. Fleischer, A.I. Shkrebtii, B.O. Fimland, W. Richter, Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures 19 (2001).
2001 | Journal Article | LibreCat-ID: 13753
Structure and Energetics of P-rich GaP(001) Surfaces
O. Pulci, W.G. Schmidt, F. Bechstedt, Physica Status Solidi (A) 184 (2001) 105–110.
LibreCat
| DOI
O. Pulci, W.G. Schmidt, F. Bechstedt, Physica Status Solidi (A) 184 (2001) 105–110.
2001 | Journal Article | LibreCat-ID: 13847
On the origin of resonance features in reflectance difference data of silicon
K. Hingerl, R.. Balderas-Navarro, A. Bonanni, P. Tichopadek, W.G. Schmidt, Applied Surface Science 175–176 (2001) 769–776.
LibreCat
| DOI
K. Hingerl, R.. Balderas-Navarro, A. Bonanni, P. Tichopadek, W.G. Schmidt, Applied Surface Science 175–176 (2001) 769–776.
2001 | Journal Article | LibreCat-ID: 13849
Terrace and step contributions to the optical anisotropy of Si(001) surfaces
W.G. Schmidt, F. Bechstedt, J. Bernholc, Physical Review B 63 (2001).
LibreCat
| DOI
W.G. Schmidt, F. Bechstedt, J. Bernholc, Physical Review B 63 (2001).
2000 | Journal Article | LibreCat-ID: 13756
First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces
O. Pulci, K. Lüdge, W.G. Schmidt, F. Bechstedt, Surface Science 464 (2000) 272–282.
LibreCat
| DOI
O. Pulci, K. Lüdge, W.G. Schmidt, F. Bechstedt, Surface Science 464 (2000) 272–282.
2000 | Journal Article | LibreCat-ID: 13757
(001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures
W.G. Schmidt, J. Bernholc, F. Bechstedt, Applied Surface Science 166 (2000) 179–184.
LibreCat
| DOI
W.G. Schmidt, J. Bernholc, F. Bechstedt, Applied Surface Science 166 (2000) 179–184.
2000 | Journal Article | LibreCat-ID: 13758
Angle Resolved Photoemission Spectroscopy of the InP(001) surface
A.M. Frisch, P. Vogt, S. Visbeck, T. Hannappel, F. Willig, W. Braun, W. Richter, J. Bernholc, W.G. Schmidt, N. Esser, Applied Surface Science 166 (2000) 224–230.
LibreCat
| DOI
A.M. Frisch, P. Vogt, S. Visbeck, T. Hannappel, F. Willig, W. Braun, W. Richter, J. Bernholc, W.G. Schmidt, N. Esser, Applied Surface Science 166 (2000) 224–230.
2000 | Journal Article | LibreCat-ID: 13759
Surface phase diagram of (2×4) and (4×2) reconstructions of GaAs(001)
W.G. Schmidt, S. Mirbt, F. Bechstedt, Physical Review B 62 (2000) 8087–8091.
LibreCat
| DOI
W.G. Schmidt, S. Mirbt, F. Bechstedt, Physical Review B 62 (2000) 8087–8091.
2000 | Journal Article | LibreCat-ID: 13760
Understanding reflectance anisotropy: Surface-state signatures and bulk-related features in the optical spectrum ofInP(001)(2×4)
W.G. Schmidt, N. Esser, A.M. Frisch, P. Vogt, J. Bernholc, F. Bechstedt, M. Zorn, T. Hannappel, S. Visbeck, F. Willig, W. Richter, Physical Review B 61 (2000) R16335–R16338.
LibreCat
| DOI
W.G. Schmidt, N. Esser, A.M. Frisch, P. Vogt, J. Bernholc, F. Bechstedt, M. Zorn, T. Hannappel, S. Visbeck, F. Willig, W. Richter, Physical Review B 61 (2000) R16335–R16338.
2000 | Journal Article | LibreCat-ID: 13761
Understanding reflectance anisotropy: Surface-state signatures and bulk-related features
W.G. Schmidt, F. Bechstedt, J. Bernholc, Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures 18 (2000).
LibreCat
| DOI
W.G. Schmidt, F. Bechstedt, J. Bernholc, Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures 18 (2000).
2000 | Journal Article | LibreCat-ID: 13762
Step-induced optical anisotropy of Si(111):H surfaces
W.G. Schmidt, J. Bernholc, Physical Review B 61 (2000) 7604–7608.
LibreCat
| DOI
W.G. Schmidt, J. Bernholc, Physical Review B 61 (2000) 7604–7608.
2000 | Book Chapter | LibreCat-ID: 13763
Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes and Quantum Transport
J. Bernholc, E.L. Briggs, C. Bungaro, M. Buongiorno Nardelli, J.-L. Fattebert, K. Rapcewicz, C. Roland, W.G. Schmidt, Q. Zhao, in: Computer Simulation of Materials at Atomic Level, physica status solidi (b), 2000, pp. 685–701.
LibreCat
| DOI
J. Bernholc, E.L. Briggs, C. Bungaro, M. Buongiorno Nardelli, J.-L. Fattebert, K. Rapcewicz, C. Roland, W.G. Schmidt, Q. Zhao, in: Computer Simulation of Materials at Atomic Level, physica status solidi (b), 2000, pp. 685–701.
1999 | Journal Article | LibreCat-ID: 13764
Ab initio calculation of linear and nonlinear optical properties of semiconductor structures
F. Bechstedt, B. Adolph, W.G. Schmidt, Brazilian Journal of Physics 29 (1999).
LibreCat
| DOI
F. Bechstedt, B. Adolph, W.G. Schmidt, Brazilian Journal of Physics 29 (1999).
1999 | Journal Article | LibreCat-ID: 13765
SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001)
W.G. Schmidt, J.L. FATTEBERT, J. BERNHOLC, F. BECHSTEDT, Surface Review and Letters 6 (1999) 1159–1165.
LibreCat
| DOI
W.G. Schmidt, J.L. FATTEBERT, J. BERNHOLC, F. BECHSTEDT, Surface Review and Letters 6 (1999) 1159–1165.
1999 | Journal Article | LibreCat-ID: 13766
Theoretical Aspects of the Optical Response of Semiconductor Surfaces
F. Bechstedt, O. Pulci, W.G. Schmidt, Physica Status Solidi (A) 175 (1999) 5–16.
LibreCat
| DOI
F. Bechstedt, O. Pulci, W.G. Schmidt, Physica Status Solidi (A) 175 (1999) 5–16.