Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
347 Publications
2011 | Journal Article | LibreCat-ID: 13568
Mietze C, Landmann M, Rauls E, et al. Band offsets in cubic GaN/AlN superlattices. Physical Review B. 2011;83(19). doi:10.1103/physrevb.83.195301
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13569
Favero PP, Ferraz AC, Schmidt WG, Miotto R. Driving forces for the adsorption of cyclopentene on InP(001). Surface Science. 2011;605:824-830. doi:10.1016/j.susc.2011.01.027
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13570
Müllegger S, Rashidi M, Lengauer T, et al. Asymmetric saddling of single porphyrin molecules on Au(111). Physical Review B. 2011;83(16). doi:10.1103/physrevb.83.165416
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13571
Thierfelder C, Witte M, Blankenburg S, Rauls E, Schmidt WG. Methane adsorption on graphene from first principles including dispersion interaction. Surface Science. 2011;605:746-749. doi:10.1016/j.susc.2011.01.012
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13823
Sanna S, Berth G, Hahn W, Widhalm A, Zrenner A, Schmidt WG. Vibrational properties of the LiNbO3 z-surfaces. IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control. 2011;58(9):1751-1756. doi:10.1109/tuffc.2011.2012
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13824
Zirkelbach F, Stritzker B, Nordlund K, Lindner JKN, Schmidt WG, Rauls E. Combined ab initio and classical potential simulation study on silicon carbide precipitation in silicon. Physical Review B. 2011;84(6). doi:10.1103/physrevb.84.064126
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13825
Sanna S, Thierfelder C, Wippermann S, Sinha TP, Schmidt WG. Barium titanate ground- and excited-state properties from first-principles calculations. Physical Review B. 2011;83(5). doi:10.1103/physrevb.83.054112
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 4543
Sanna S, Berth G, Hahn W, Widhalm A, Zrenner A, Schmidt WG. Localised Phonon Modes at LiNbO3(0001) Surfaces. Ferroelectrics. 2011;419(1):1-8. doi:10.1080/00150193.2011.594396
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13573
Thierfelder C, Sanna S, Schindlmayr A, Schmidt WG. Do we know the band gap of lithium niobate? Physica Status Solidi C. 2010;7(2):362-365. doi:10.1002/pssc.200982473
LibreCat
| Files available
| DOI
| WoS
2010 | Journal Article | LibreCat-ID: 13574
Gerstmann U, Rohrmüller M, Mauri F, Schmidt WG. Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces. physica status solidi (c). 2010;7(2):157-160. doi:10.1002/pssc.200982462
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13581
Wippermann S, Schmidt WG, Bechstedt F, et al. Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles. physica status solidi (c). 2010;7(2):133-136. doi:10.1002/pssc.200982413
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13656
Bihler C, Gerstmann U, Hoeb M, et al. Manganese-hydrogen complexes inGa1−xMnxN. Physical Review B. 2010;80(20). doi:10.1103/physrevb.80.205205
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13826
Blankenburg S, Rauls E, Schmidt WG. Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization. The Journal of Physical Chemistry Letters. 2010;1:3266-3270. doi:10.1021/jz101389u
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13827
Wippermann S, Schmidt WG. Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array. Physical Review Letters. 2010;105(12). doi:10.1103/physrevlett.105.126102
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13828
Zirkelbach F, Stritzker B, Nordlund K, Lindner JKN, Schmidt WG, Rauls E. Defects in carbon implanted silicon calculated by classical potentials and first-principles methods. Physical Review B. 2010;82(9). doi:10.1103/physrevb.82.094110
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13829
Krivosheeva AV, Sanna S, Schmidt WG. First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2). Computational Materials Science. 2010;49(4):895-898. doi:10.1016/j.commatsci.2010.06.043
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13830
Rauls E, Wiebe J, Schmidt WG. Understanding the cubic AlN growth plane from first principles. Journal of Crystal Growth. 2010;312:2892-2895. doi:10.1016/j.jcrysgro.2010.07.027
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13831
Speiser E, Chandola S, Hinrichs K, et al. Metal-insulator transition in Si(111)-(4 × 1)/(8 × 2)-In studied by optical spectroscopy. physica status solidi (b). 2010;247(8):2033-2039. doi:10.1002/pssb.200983961
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13832
Thierfelder C, Schmidt WG. First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111). Physical Review B. 2010;82(11). doi:10.1103/physrevb.82.115402
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13833
Sanna S, Schmidt WG. Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory. Physical Review B. 2010;81(21). doi:10.1103/physrevb.81.214116
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13834
Sanna S, Schmidt WG. GaN/LiNbO3 (0001) interface formation calculated from first-principles. Applied Surface Science. 2010;256:5740-5743. doi:10.1016/j.apsusc.2010.03.098
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13835
Scholle A, Greulich-Weber S, As DJ, et al. Magnetic characterization of conductance electrons in GaN. physica status solidi (b). 2010;247(7):1728-1731. doi:10.1002/pssb.200983582
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13836
Rauls E, Blankenburg S, Schmidt WG. Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111). Physical Review B. 2010;81(12). doi:10.1103/physrevb.81.125401
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13837
Scholle A, Greulich-Weber S, Rauls E, Schmidt WG, Gerstmann U. Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC. Materials Science Forum. 2010;645-648:403-406. doi:10.4028/www.scientific.net/msf.645-648.403
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13838
Sanna S, Schmidt WG. GaN growth on LiNbO3 (0001) - a first-principles simulation. physica status solidi (c). 2010;7(7-8):2272-2274. doi:10.1002/pssc.200983649
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13839
Blankenburg S, Schmidt WG. Temperature dependent stability of self-assembled molecular rows. physica status solidi (c). 2010;7(2):415-417. doi:10.1002/pssc.200982460
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13841
Blankenburg S, Rauls E, Schmidt WG. The physics of highly ordered molecular rows. physica status solidi (c). 2010;7(2):153-156. doi:10.1002/pssc.200982459
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13842
Sanna S, Gavrilenko AV, Schmidt WG. Ab initio investigation of the LiNbO3(0001) surface. physica status solidi (c). 2010;7(2):145-148. doi:10.1002/pssc.200982456
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13843
Wippermann S, Schmidt WG, Thissen P, Grundmeier G. Dissociative and molecular adsorption of water onα-Al2O3(0001). physica status solidi (c). 2010;7(2):137-140. doi:10.1002/pssc.200982423
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13576
Blankenburg S, Rauls E, Schmidt WG. The physics of highly ordered molecular rows. physica status solidi (c). 2009:153-156. doi:10.1002/pssc.200982459
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13577
Blankenburg S, Rauls E, Schmidt WG. The physics of highly ordered molecular rows. physica status solidi (c). 2009;7(2):153-156. doi:10.1002/pssc.200982459
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13578
Sanna S, Gavrilenko AV, Schmidt WG. Ab initioinvestigation of the LiNbO3(0001) surface. physica status solidi (c). 2009:145-148. doi:10.1002/pssc.200982456
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13579
Sanna S, Gavrilenko AV, Schmidt WG. Ab initioinvestigation of the LiNbO3(0001) surface. physica status solidi (c). 2009;7(2):145-148. doi:10.1002/pssc.200982456
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13580
Wippermann S, Schmidt WG, Thissen P, Grundmeier G. Dissociative and molecular adsorption of water onα-Al2O3(0001). physica status solidi (c). 2009;7(2):137-140. doi:10.1002/pssc.200982423
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13583
Scholle A, Greulich-Weber S, Rauls E, Schmidt WG, Gerstmann U. Vacancy clusters created via room temperature irradiation in 6H-SiC. Physica B: Condensed Matter. 2009;404:4742-4744. doi:10.1016/j.physb.2009.08.123
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13655
Thissen P, Grundmeier G, Wippermann S, Schmidt WG. Water adsorption on the α-Al2O3(0001) surface. Physical Review B. 2009;80(24). doi:10.1103/physrevb.80.245403
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13657
Sanna S, Schmidt WG, Frauenheim T, Gerstmann U. Rare-earth defect pairs in GaN: LDA+U calculations. Physical Review B. 2009;80(10). doi:10.1103/physrevb.80.104120
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13658
Passmann R, Favero P, Schmidt WG, et al. Adsorption structure of cyclopentene on InP(001)(2×4). Physical Review B. 2009;80(12). doi:10.1103/physrevb.80.125303
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13659
Blankenburg S, Rauls E, Schmidt WG. Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures. The Journal of Physical Chemistry C. 2009;113:12653-12657. doi:10.1021/jp902337p
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13660
Chandola S, Hinrichs K, Gensch M, et al. Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response. Physical Review Letters. 2009;102(22). doi:10.1103/physrevlett.102.226805
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13661
Landmann M, Rauls E, Schmidt WG. Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles. The Journal of Physical Chemistry C. 2009;113:5690-5699. doi:10.1021/jp810581s
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13662
Blankenburg S, Schmidt WG. Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions. Journal of Physics: Condensed Matter. 2009;21. doi:10.1088/0953-8984/21/18/185001
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13664
Lange B, Posner R, Pohl K, et al. Water adsorption on hydrogenated Si(111) surfaces. Surface Science. 2009;603:60-64. doi:10.1016/j.susc.2008.10.030
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13665
Landmann M, Rauls E, Schmidt WG. First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen. Physical Review B. 2009;79(4). doi:10.1103/physrevb.79.045412
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13802
Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter. 2009;21(39). doi:10.1088/0953-8984/21/39/395502
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13844
Savchenko DV, Pöppl A, Kalabukhova EN, et al. Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC. Materials Science Forum. 2009;615-617:343-346. doi:10.4028/www.scientific.net/msf.615-617.343
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13663
Wippermann S, Schmidt WG. Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array. Surface Science. 2008;603:247-250. doi:10.1016/j.susc.2008.11.013
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13666
Wippermann S, Schmidt WG. Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles. Physical Review B. 2008;78(23). doi:10.1103/physrevb.78.235439
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13667
Blankenburg S, Schmidt WG. Spatial modulation of molecular adsorption energies due to indirect interaction. Physical Review B. 2008;78. doi:10.1103/physrevb.78.233411
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13668
Rauls E, Schmidt WG. Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110). Journal of Physical Chemistry C. 2008;112:11490-11494. doi:10.1021/jp8037297
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13669
Rauls E, Dijkstra SJ, Schmidt WG. Atomic structure and energetics of thec-GaN(001) surface. Physical Review B. 2008;78(11). doi:10.1103/physrevb.78.113302
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13670
Rauls E, Blankenburg S, Schmidt WG. DFT calculations of adenine adsorption on coin metal (110) surfaces. Surface Science. 2008;602:2170-2174. doi:10.1016/j.susc.2008.04.029
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13671
Hermann A, Schmidt WG, Schwerdtfeger P. Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects. Physical Review Letters. 2008;100(20). doi:10.1103/physrevlett.100.207403
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13672
Hermann A, Schwerdtfeger P, Schmidt WG. Theoretical study of the localization of excess electrons at the surface of ice. Journal of Physics: Condensed Matter. 2008;20. doi:10.1088/0953-8984/20/22/225003
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13673
Rakel M, Cobet C, Esser N, et al. GaN and InN conduction-band states studied by ellipsometry. Physical Review B. 2008;77(11). doi:10.1103/physrevb.77.115120
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13674
Wippermann S, Koch N, Schmidt WG. Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects. Physical Review Letters. 2008;100(10). doi:10.1103/physrevlett.100.106802
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13675
Lange B, Schmidt WG. Ammonia adsorption on Cl/Si(001): First-principles calculations. Surface Science. 2008;602:1207-1211. doi:10.1016/j.susc.2008.01.024
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13676
Schmidt WG, Albrecht M, Wippermann S, et al. LiNbO3ground- and excited-state properties from first-principles calculations. Physical Review B. 2008;77. doi:10.1103/physrevb.77.035106
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 23484
Golde D, Meier T, Koch SW. High harmonics generated in semiconductor nanostructures by the coupled dynamics of optical inter- and intraband excitations. Physical Review B. 2008;77(7). doi:10.1103/physrevb.77.075330
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13677
Thierfelder C, Schmidt WG. Ethanol adsorbed on ice: A first-principles study. Physical Review B. 2007;76(19). doi:10.1103/physrevb.76.195426
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13678
Blankenburg S, Schmidt WG. Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer. Physical Review Letters. 2007;99(19). doi:10.1103/physrevlett.99.196107
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13680
Blankenburg S, Schmidt WG. Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110). Nanotechnology. 2007;18. doi:10.1088/0957-4484/18/42/424030
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13681
Wippermann S, Schmidt WG, Calzolari A, et al. Quantum conductance of In nanowires on Si(111) from first principles calculations. Surface Science. 2007:4045-4047. doi:10.1016/j.susc.2007.04.053
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13682
Bernholc J, Lu W, Nakhmanson SM, et al. Atomic scale design of nanostructures. Molecular Physics. 2007:147-156. doi:10.1080/00268970701189186
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13683
Stekolnikov AA, Seino K, Bechstedt F, et al. Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance. Physical Review Letters. 2007;98(2). doi:10.1103/physrevlett.98.026105
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13684
Letzig T, Willig F, Hahn PH, Schmidt WG. Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface. Physical Review B. 2006;74(24). doi:10.1103/physrevb.74.245307
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13685
Preuss M, Bechstedt F, Schmidt WG, Sochos J, Schröter B, Richter W. 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. 2006;74(23). doi:10.1103/physrevb.74.235406
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13686
Schmidt WG, Seino K, Preuss M, Hermann A, Ortmann F, Bechstedt F. Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction. Applied Physics A. 2006;85:387-397. doi:10.1007/s00339-006-3691-0
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13688
Blankenburg S, Schmidt WG. Adsorption of phenylglycine on copper: Density functional calculations. Physical Review B. 2006;74(15). doi:10.1103/physrevb.74.155419
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13689
Preuss M, Miotto R, Bechstedt F, Rada T, Richardson NV, Schmidt WG. Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS. Physical Review B. 2006;74(11). doi:10.1103/physrevb.74.115402
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13690
Thierfelder C, Hermann A, Schwerdtfeger P, Schmidt WG. Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations. Physical Review B. 2006;74(4). doi:10.1103/physrevb.74.045422
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13691
Biering S, Hermann A, Schmidt WG. Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions. Physical Review B. 2006;73(23). doi:10.1103/physrevb.73.235429
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13692
Schmidt WG, Hermann A, Fuchs F, Bechstedt F. Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation. Current Applied Physics. 2006;6:525-530. doi:10.1016/j.cap.2005.11.069
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13693
Schmidt WG, Seino K. Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping. Current Applied Physics. 2006;6:331-333. doi:10.1016/j.cap.2005.11.012
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13694
Seino K, Schmidt WG, Ohtake A. Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions. Physical Review B. 2006;73(3). doi:10.1103/physrevb.73.035317
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13695
Hahn PH, Schmidt WG, Bechstedt F. Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics. Physical Review B. 2006;72(24). doi:10.1103/physrevb.72.245425
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13845
Ortmann F, Bechstedt F, Schmidt WG. Semiempirical van der Waals correction to the density functional description of solids and molecular structures. Physical Review B. 2006;73(20). doi:10.1103/physrevb.73.205101
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13696
Bechstedt F, Seino K, Hahn PH, Schmidt WG. Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl. Physical Review B. 2005;72(24). doi:10.1103/physrevb.72.245114
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13697
Ortmann F, Schmidt WG, Bechstedt F. Attracted by Long-Range Electron Correlation: Adenine on Graphite. Physical Review Letters. 2005;95(18). doi:10.1103/physrevlett.95.186101
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13698
Schmidt WG. Calculation of reflectance anisotropy for semiconductor surface exploration. physica status solidi (b). 2005;242(13):2751-2764. doi:10.1002/pssb.200541112
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13699
Hahn PH, Seino K, Schmidt WG, Furthmüller J, Bechstedt F. Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN. physica status solidi (b). 2005;242(13):2720-2728. doi:10.1002/pssb.200541128
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13700
Esser N, Rakel M, Cobet C, Schmidt WG, Braun W, Cardona M. VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations. physica status solidi (b). 2005;242(13):2601-2609. doi:10.1002/pssb.200541315
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13701
Fuchs F, Schmidt WG, Bechstedt F. Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations. The Journal of Physical Chemistry B. 2005;109:17649-17653. doi:10.1021/jp0501087
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13702
Fuchs F, Schmidt WG, Bechstedt F. Understanding the optical anisotropy of oxidized Si(001) surfaces. Physical Review B. 2005;72(7). doi:10.1103/physrevb.72.075353
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13703
Preuss M, Schmidt WG, Bechstedt F. Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110). Physical Review Letters. 2005;94. doi:10.1103/physrevlett.94.236102
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13704
Seino K, Schmidt WG. Conformation-selective adsorption of 2,3-butanediol on Si(001). Surface Science. 2005:191-196. doi:10.1016/j.susc.2005.04.029
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13705
Leitsmann R, Schmidt WG, Hahn PH, Bechstedt F. Second-harmonic polarizability including electron-hole attraction from band-structure theory. Physical Review B. 2005;71. doi:10.1103/physrevb.71.195209
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13706
Hermann A, Schmidt WG, Bechstedt F. Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study. Physical Review B. 2005;71. doi:10.1103/physrevb.71.153311
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13707
Hermann A, Schmidt WG, Bechstedt F. Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response. The Journal of Physical Chemistry B. 2005;109:7928-7933. doi:10.1021/jp0500182
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13709
Hahn PH, Schmidt WG, Seino K, Preuss M, Bechstedt F, Bernholc J. Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding. Physical Review Letters. 2005;94:037404. doi:10.1103/physrevlett.94.037404
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13846
Hahn PH, Schmidt WG, Bechstedt F. Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics. Physical Review B. 2005;72(24). doi:10.1103/physrevb.72.245425
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13710
Ohtake A, Kocán P, Seino K, Schmidt WG, Koguchi N. Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase. Physical Review Letters. 2004;93:266101. doi:10.1103/physrevlett.93.266101
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13711
Seino K, Schmidt WG. H2O on Si(001): surface optical anisotropy from first-principles calculations. Surface Science. 2004;571(157):157-160. doi:10.1016/j.susc.2004.08.012
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13712
Schmidt WG, Fuchs F, Hermann A, et al. Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions. Journal of Physics: Condensed Matter. 2004;16:S4323-S4334. doi:10.1088/0953-8984/16/39/007
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13713
Palummo M, Pulci O, Sole RD, et al. The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra. Journal of Physics: Condensed Matter. 2004;16:S4313-S4322. doi:10.1088/0953-8984/16/39/006
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13715
Preuss M, Schmidt WG, Seino K, Bechstedt F. Methylchloride adsorbed on Si(001): an ab initio study. Applied Surface Science. 2004;234:155-161. doi:10.1016/j.apsusc.2004.05.041
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13716
Fleischer K, Chandola S, Esser N, et al. Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy. Applied Surface Science. 2004;234:302-306. doi:10.1016/j.apsusc.2004.05.114
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13717
Seino K, Schmidt WG, Bechstedt F. Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection. Physical Review Letters. 2004;93(3). doi:10.1103/physrevlett.93.036101
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13718
Preuss M, Schmidt WG, Bechstedt F. Methyl Chloride Adsorption on Si(001)−Electronic Structure. The Journal of Physical Chemistry B. 2004;108:7809-7813. doi:10.1021/jp049661z
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13719
Seino K, Schmidt WG, Bechstedt F. Organic modification of surface electronic properties: A first-principles study of uracil on Si(001). Physical Review B. 2004;69:245309. doi:10.1103/physrevb.69.245309
LibreCat
| DOI