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347 Publications
2011 | Journal Article | LibreCat-ID: 13568
Mietze, C., et al. “Band Offsets in Cubic GaN/AlN Superlattices.” Physical Review B, vol. 83, no. 19, 2011, doi:10.1103/physrevb.83.195301.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13569
Favero, P. P., et al. “Driving Forces for the Adsorption of Cyclopentene on InP(001).” Surface Science, vol. 605, 2011, pp. 824–30, doi:10.1016/j.susc.2011.01.027.
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| DOI
2011 | Journal Article | LibreCat-ID: 13570
Müllegger, S., et al. “Asymmetric Saddling of Single Porphyrin Molecules on Au(111).” Physical Review B, vol. 83, no. 16, 2011, doi:10.1103/physrevb.83.165416.
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| DOI
2011 | Journal Article | LibreCat-ID: 13571
Thierfelder, C., et al. “Methane Adsorption on Graphene from First Principles Including Dispersion Interaction.” Surface Science, vol. 605, 2011, pp. 746–49, doi:10.1016/j.susc.2011.01.012.
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| DOI
2011 | Journal Article | LibreCat-ID: 13823
Sanna, S., et al. “Vibrational Properties of the LiNbO3 Z-Surfaces.” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, vol. 58, no. 9, 2011, pp. 1751–56, doi:10.1109/tuffc.2011.2012.
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| DOI
2011 | Journal Article | LibreCat-ID: 13824
Zirkelbach, F., et al. “Combined Ab Initio and Classical Potential Simulation Study on Silicon Carbide Precipitation in Silicon.” Physical Review B, vol. 84, no. 6, 2011, doi:10.1103/physrevb.84.064126.
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| DOI
2011 | Journal Article | LibreCat-ID: 13825
Sanna, S., et al. “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.” Physical Review B, vol. 83, no. 5, 2011, doi:10.1103/physrevb.83.054112.
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| DOI
2011 | Journal Article | LibreCat-ID: 4543
Sanna, S., et al. “Localised Phonon Modes at LiNbO3(0001) Surfaces.” Ferroelectrics, vol. 419, no. 1, Informa UK Limited, 2011, pp. 1–8, doi:10.1080/00150193.2011.594396.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13573
Thierfelder, Christian, et al. “Do We Know the Band Gap of Lithium Niobate?” Physica Status Solidi C, vol. 7, no. 2, Wiley-VCH, 2010, pp. 362–65, doi:10.1002/pssc.200982473.
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2010 | Journal Article | LibreCat-ID: 13574
Gerstmann, Uwe, et al. “Ab Initiog-Tensor Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 157–60, doi:10.1002/pssc.200982462.
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| DOI
2010 | Journal Article | LibreCat-ID: 13581
Wippermann, S., et al. “Optical Anisotropy of Si(111)-(4 × 1)/(8 × 2)-In Nanowires Calculated Fromfirst-Principles.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 133–36, doi:10.1002/pssc.200982413.
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| DOI
2010 | Journal Article | LibreCat-ID: 13656
Bihler, C., et al. “Manganese-Hydrogen Complexes InGa1−xMnxN.” Physical Review B, vol. 80, no. 20, 2010, doi:10.1103/physrevb.80.205205.
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| DOI
2010 | Journal Article | LibreCat-ID: 13826
Blankenburg, S., et al. “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization.” The Journal of Physical Chemistry Letters, vol. 1, 2010, pp. 3266–70, doi:10.1021/jz101389u.
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| DOI
2010 | Journal Article | LibreCat-ID: 13827
Wippermann, S., and Wolf Gero Schmidt. “Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array.” Physical Review Letters, vol. 105, no. 12, 2010, doi:10.1103/physrevlett.105.126102.
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| DOI
2010 | Journal Article | LibreCat-ID: 13828
Zirkelbach, F., et al. “Defects in Carbon Implanted Silicon Calculated by Classical Potentials and First-Principles Methods.” Physical Review B, vol. 82, no. 9, 2010, doi:10.1103/physrevb.82.094110.
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| DOI
2010 | Journal Article | LibreCat-ID: 13829
Krivosheeva, A. V., et al. “First-Principles Investigation of CO Adsorption on Pt/Ge(001)-(4×2).” Computational Materials Science, vol. 49, no. 4, 2010, pp. 895–98, doi:10.1016/j.commatsci.2010.06.043.
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| DOI
2010 | Journal Article | LibreCat-ID: 13830
Rauls, E., et al. “Understanding the Cubic AlN Growth Plane from First Principles.” Journal of Crystal Growth, vol. 312, 2010, pp. 2892–95, doi:10.1016/j.jcrysgro.2010.07.027.
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| DOI
2010 | Journal Article | LibreCat-ID: 13831
Speiser, E., et al. “Metal-Insulator Transition in Si(111)-(4 × 1)/(8 × 2)-In Studied by Optical Spectroscopy.” Physica Status Solidi (B), vol. 247, no. 8, 2010, pp. 2033–39, doi:10.1002/pssb.200983961.
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| DOI
2010 | Journal Article | LibreCat-ID: 13832
Thierfelder, C., and Wolf Gero Schmidt. “First-Principles Study of Water Adsorption and a High-Density Interfacial Ice Structure on(1×1)-O/Rh(111).” Physical Review B, vol. 82, no. 11, 2010, doi:10.1103/physrevb.82.115402.
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| DOI
2010 | Journal Article | LibreCat-ID: 13833
Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut Surfaces Fromab Initiotheory.” Physical Review B, vol. 81, no. 21, 2010, doi:10.1103/physrevb.81.214116.
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| DOI
2010 | Journal Article | LibreCat-ID: 13834
Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation Calculated from First-Principles.” Applied Surface Science, vol. 256, 2010, pp. 5740–43, doi:10.1016/j.apsusc.2010.03.098.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13835
Scholle, A., et al. “Magnetic Characterization of Conductance Electrons in GaN.” Physica Status Solidi (B), vol. 247, no. 7, 2010, pp. 1728–31, doi:10.1002/pssb.200983582.
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| DOI
2010 | Journal Article | LibreCat-ID: 13836
Rauls, E., et al. “Chemical Reactivity on Surfaces: Modeling the Imide Synthesis from DATP and PTCDA on Au(111).” Physical Review B, vol. 81, no. 12, 2010, doi:10.1103/physrevb.81.125401.
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| DOI
2010 | Journal Article | LibreCat-ID: 13837
Scholle, Andreas, et al. “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC.” Materials Science Forum, vol. 645–648, 2010, pp. 403–06, doi:10.4028/www.scientific.net/msf.645-648.403.
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| DOI
2010 | Journal Article | LibreCat-ID: 13838
Sanna, Simone, and Wolf Gero Schmidt. “GaN Growth on LiNbO3 (0001) - a First-Principles Simulation.” Physica Status Solidi (C), vol. 7, no. 7–8, 2010, pp. 2272–74, doi:10.1002/pssc.200983649.
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| DOI
2010 | Journal Article | LibreCat-ID: 13839
Blankenburg, S., and Wolf Gero Schmidt. “Temperature Dependent Stability of Self-Assembled Molecular Rows.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 415–17, doi:10.1002/pssc.200982460.
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| DOI
2010 | Journal Article | LibreCat-ID: 13841
Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 153–56, doi:10.1002/pssc.200982459.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13842
Sanna, Simone, et al. “Ab Initio Investigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 145–48, doi:10.1002/pssc.200982456.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13843
Wippermann, S., et al. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 137–40, doi:10.1002/pssc.200982423.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13576
Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C), 2009, pp. 153–56, doi:10.1002/pssc.200982459.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13577
Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C), vol. 7, no. 2, 2009, pp. 153–56, doi:10.1002/pssc.200982459.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13578
Sanna, Simone, et al. “Ab Initioinvestigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C), 2009, pp. 145–48, doi:10.1002/pssc.200982456.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13579
Sanna, Simone, et al. “Ab Initioinvestigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C), vol. 7, no. 2, 2009, pp. 145–48, doi:10.1002/pssc.200982456.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13580
Wippermann, S., et al. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).” Physica Status Solidi (C), vol. 7, no. 2, 2009, pp. 137–40, doi:10.1002/pssc.200982423.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13583
Scholle, A., et al. “Vacancy Clusters Created via Room Temperature Irradiation in 6H-SiC.” Physica B: Condensed Matter, vol. 404, 2009, pp. 4742–44, doi:10.1016/j.physb.2009.08.123.
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| DOI
2009 | Journal Article | LibreCat-ID: 13655
Thissen, P., et al. “Water Adsorption on the α-Al2O3(0001) Surface.” Physical Review B, vol. 80, no. 24, 2009, doi:10.1103/physrevb.80.245403.
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| DOI
2009 | Journal Article | LibreCat-ID: 13657
Sanna, Simone, et al. “Rare-Earth Defect Pairs in GaN: LDA+U Calculations.” Physical Review B, vol. 80, no. 10, 2009, doi:10.1103/physrevb.80.104120.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13658
Passmann, Regina, et al. “Adsorption Structure of Cyclopentene on InP(001)(2×4).” Physical Review B, vol. 80, no. 12, 2009, doi:10.1103/physrevb.80.125303.
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| DOI
2009 | Journal Article | LibreCat-ID: 13659
Blankenburg, S., et al. “Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures.” The Journal of Physical Chemistry C, vol. 113, 2009, pp. 12653–57, doi:10.1021/jp902337p.
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| DOI
2009 | Journal Article | LibreCat-ID: 13660
Chandola, S., et al. “Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response.” Physical Review Letters, vol. 102, no. 22, 2009, doi:10.1103/physrevlett.102.226805.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13661
Landmann, M., et al. “Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles.” The Journal of Physical Chemistry C, vol. 113, 2009, pp. 5690–99, doi:10.1021/jp810581s.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13662
Blankenburg, S., and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.” Journal of Physics: Condensed Matter, vol. 21, 185001, 2009, doi:10.1088/0953-8984/21/18/185001.
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| DOI
2009 | Journal Article | LibreCat-ID: 13664
Lange, B., et al. “Water Adsorption on Hydrogenated Si(111) Surfaces.” Surface Science, vol. 603, 2009, pp. 60–64, doi:10.1016/j.susc.2008.10.030.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13665
Landmann, M., et al. “First-Principles Calculations of Clean Au(110) Surfaces and Chemisorption of Atomic Oxygen.” Physical Review B, vol. 79, no. 4, 2009, doi:10.1103/physrevb.79.045412.
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| DOI
2009 | Journal Article | LibreCat-ID: 13802
Giannozzi, Paolo, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” Journal of Physics: Condensed Matter, vol. 21, no. 39, 395502, 2009, doi:10.1088/0953-8984/21/39/395502.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13844
Savchenko, D. V., et al. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.” Materials Science Forum, vol. 615–617, 2009, pp. 343–46, doi:10.4028/www.scientific.net/msf.615-617.343.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13663
Wippermann, S., and Wolf Gero Schmidt. “Optical Anisotropy of the In/Si(111)(4×1)/(8×2) Nanowire Array.” Surface Science, vol. 603, 2008, pp. 247–50, doi:10.1016/j.susc.2008.11.013.
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| DOI
2008 | Journal Article | LibreCat-ID: 13666
Wippermann, S., and Wolf Gero Schmidt. “Water Adsorption on Clean Ni(111) and p(2×2)-Ni(111)-O Surfaces Calculated from First Principles.” Physical Review B, vol. 78, no. 23, 2008, doi:10.1103/physrevb.78.235439.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13667
Blankenburg, S., and Wolf Gero Schmidt. “Spatial Modulation of Molecular Adsorption Energies Due to Indirect Interaction.” Physical Review B, vol. 78, 2008, doi:10.1103/physrevb.78.233411.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13668
Rauls, E., and Wolf Gero Schmidt. “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110).” Journal of Physical Chemistry C, vol. 112, 2008, pp. 11490–94, doi:10.1021/jp8037297.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13669
Rauls, E., et al. “Atomic Structure and Energetics of Thec-GaN(001) Surface.” Physical Review B, vol. 78, no. 11, 2008, doi:10.1103/physrevb.78.113302.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13670
Rauls, E., et al. “DFT Calculations of Adenine Adsorption on Coin Metal (110) Surfaces.” Surface Science, vol. 602, 2008, pp. 2170–74, doi:10.1016/j.susc.2008.04.029.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13671
Hermann, A., et al. “Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects.” Physical Review Letters, vol. 100, no. 20, 2008, doi:10.1103/physrevlett.100.207403.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13672
Hermann, A., et al. “Theoretical Study of the Localization of Excess Electrons at the Surface of Ice.” Journal of Physics: Condensed Matter, vol. 20, 225003, 2008, doi:10.1088/0953-8984/20/22/225003.
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| DOI
2008 | Journal Article | LibreCat-ID: 13673
Rakel, Munise, et al. “GaN and InN Conduction-Band States Studied by Ellipsometry.” Physical Review B, vol. 77, no. 11, 2008, doi:10.1103/physrevb.77.115120.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13674
Wippermann, S., et al. “Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects.” Physical Review Letters, vol. 100, no. 10, 2008, doi:10.1103/physrevlett.100.106802.
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| DOI
2008 | Journal Article | LibreCat-ID: 13675
Lange, B., and Wolf Gero Schmidt. “Ammonia Adsorption on Cl/Si(001): First-Principles Calculations.” Surface Science, vol. 602, 2008, pp. 1207–11, doi:10.1016/j.susc.2008.01.024.
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| DOI
2008 | Journal Article | LibreCat-ID: 13676
Schmidt, Wolf Gero, et al. “LiNbO3ground- and Excited-State Properties from First-Principles Calculations.” Physical Review B, vol. 77, 2008, doi:10.1103/physrevb.77.035106.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 23484
Golde, D., et al. “High Harmonics Generated in Semiconductor Nanostructures by the Coupled Dynamics of Optical Inter- and Intraband Excitations.” Physical Review B, vol. 77, no. 7, 075330, 2008, doi:10.1103/physrevb.77.075330.
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13677
Thierfelder, C., and Wolf Gero Schmidt. “Ethanol Adsorbed on Ice: A First-Principles Study.” Physical Review B, vol. 76, no. 19, 2007, doi:10.1103/physrevb.76.195426.
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13678
Blankenburg, S., and Wolf Gero Schmidt. “Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer.” Physical Review Letters, vol. 99, no. 19, 2007, doi:10.1103/physrevlett.99.196107.
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| DOI
2007 | Journal Article | LibreCat-ID: 13680
Blankenburg, S., and Wolf Gero Schmidt. “Steric Effects and Chirality in the Adsorption of Glycine and Phenylglycine on Cu(110).” Nanotechnology, vol. 18, 424030, 2007, doi:10.1088/0957-4484/18/42/424030.
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13681
Wippermann, S., et al. “Quantum Conductance of In Nanowires on Si(111) from First Principles Calculations.” Surface Science, 2007, pp. 4045–47, doi:10.1016/j.susc.2007.04.053.
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| DOI
2007 | Journal Article | LibreCat-ID: 13682
Bernholc, J., et al. “Atomic Scale Design of Nanostructures.” Molecular Physics, 2007, pp. 147–56, doi:10.1080/00268970701189186.
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| DOI
2007 | Journal Article | LibreCat-ID: 13683
Stekolnikov, A. A., et al. “Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance.” Physical Review Letters, vol. 98, no. 2, 2007, doi:10.1103/physrevlett.98.026105.
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| DOI
2006 | Journal Article | LibreCat-ID: 13684
Letzig, T., et al. “Experimental and Theoretical Evidence for a Hydrogen Stabilizedc(2×2)Reconstruction of the P-Rich InP(001) Surface.” Physical Review B, vol. 74, no. 24, 2006, doi:10.1103/physrevb.74.245307.
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13685
Preuss, M., et al. “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, vol. 74, no. 23, 2006, doi:10.1103/physrevb.74.235406.
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| DOI
2006 | Journal Article | LibreCat-ID: 13686
Schmidt, Wolf Gero, et al. “Organic Molecule Adsorption on Solid Surfaces: Chemical Bonding, Mutual Polarisation and Dispersion Interaction.” Applied Physics A, vol. 85, 2006, pp. 387–97, doi:10.1007/s00339-006-3691-0.
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| DOI
2006 | Journal Article | LibreCat-ID: 13688
Blankenburg, S., and Wolf Gero Schmidt. “Adsorption of Phenylglycine on Copper: Density Functional Calculations.” Physical Review B, vol. 74, no. 15, 2006, doi:10.1103/physrevb.74.155419.
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| DOI
2006 | Journal Article | LibreCat-ID: 13689
Preuss, M., et al. “Structure, Energetics, and Vibrational Spectra of Perylene Adsorbed on Si(001): First-Principles Calculations Compared with STM and HREELS.” Physical Review B, vol. 74, no. 11, 2006, doi:10.1103/physrevb.74.115402.
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13690
Thierfelder, C., et al. “Strongly Bonded Water Monomers on the Ice Ih Basal Plane: Density-Functional Calculations.” Physical Review B, vol. 74, no. 4, 2006, doi:10.1103/physrevb.74.045422.
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13691
Biering, S., et al. “Adsorption of Water on Chlorine-Terminated Si(111) from First Principles: Substrate-Induced Ordering versus Intermolecular Interactions.” Physical Review B, vol. 73, no. 23, 2006, doi:10.1103/physrevb.73.235429.
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13692
Schmidt, Wolf Gero, et al. “Si(001) Surface Optical Anisotropies Induced by π-Conjugated Overlayers and Oxidation.” Current Applied Physics, vol. 6, 2006, pp. 525–30, doi:10.1016/j.cap.2005.11.069.
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| DOI
2006 | Journal Article | LibreCat-ID: 13693
Schmidt, Wolf Gero, and K. Seino. “Si(001) c(4×2)–p(2×2) Surface Phase Transitions Induced by Electric Fields and Doping.” Current Applied Physics, vol. 6, 2006, pp. 331–33, doi:10.1016/j.cap.2005.11.012.
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13694
Seino, K., et al. “Ga-RichGaAs(001)Surface Fromab Initiocalculations: Atomic Structure of the(4×6)and(6×6)Reconstructions.” Physical Review B, vol. 73, no. 3, 2006, doi:10.1103/physrevb.73.035317.
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| DOI
2006 | Journal Article | LibreCat-ID: 13695
Hahn, P. H., et al. “Molecular Electronic Excitations Calculated from a Solid-State Approach: Methodology and Numerics.” Physical Review B, vol. 72, no. 24, 2006, doi:10.1103/physrevb.72.245425.
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| DOI
2006 | Journal Article | LibreCat-ID: 13845
Ortmann, F., et al. “Semiempirical van Der Waals Correction to the Density Functional Description of Solids and Molecular Structures.” Physical Review B, vol. 73, no. 20, 2006, doi:10.1103/physrevb.73.205101.
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| DOI
2005 | Journal Article | LibreCat-ID: 13696
Bechstedt, F., et al. “Quasiparticle Bands and Optical Spectra of Highly Ionic Crystals: AlN and NaCl.” Physical Review B, vol. 72, no. 24, 2005, doi:10.1103/physrevb.72.245114.
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| DOI
2005 | Journal Article | LibreCat-ID: 13697
Ortmann, F., et al. “Attracted by Long-Range Electron Correlation: Adenine on Graphite.” Physical Review Letters, vol. 95, no. 18, 2005, doi:10.1103/physrevlett.95.186101.
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| DOI
2005 | Journal Article | LibreCat-ID: 13698
Schmidt, Wolf Gero. “Calculation of Reflectance Anisotropy for Semiconductor Surface Exploration.” Physica Status Solidi (B), vol. 242, no. 13, 2005, pp. 2751–64, doi:10.1002/pssb.200541112.
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| DOI
2005 | Journal Article | LibreCat-ID: 13699
Hahn, P. H., et al. “Quasiparticle and Excitonic Effects in the Optical Spectra of Diamond, SiC, Si, GaP, GaAs, InP, and AlN.” Physica Status Solidi (B), vol. 242, no. 13, 2005, pp. 2720–28, doi:10.1002/pssb.200541128.
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| DOI
2005 | Journal Article | LibreCat-ID: 13700
Esser, N., et al. “VUV-Ellipsometry on GaN: Probing Conduction Band Properties by Core Level Excitations.” Physica Status Solidi (B), vol. 242, no. 13, 2005, pp. 2601–09, doi:10.1002/pssb.200541315.
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| DOI
2005 | Journal Article | LibreCat-ID: 13701
Fuchs, F., et al. “Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations.” The Journal of Physical Chemistry B, vol. 109, 2005, pp. 17649–53, doi:10.1021/jp0501087.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13702
Fuchs, F., et al. “Understanding the Optical Anisotropy of Oxidized Si(001) Surfaces.” Physical Review B, vol. 72, no. 7, 2005, doi:10.1103/physrevb.72.075353.
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| DOI
2005 | Journal Article | LibreCat-ID: 13703
Preuss, M., et al. “Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110).” Physical Review Letters, vol. 94, 2005, doi:10.1103/physrevlett.94.236102.
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| DOI
2005 | Journal Article | LibreCat-ID: 13704
Seino, K., and Wolf Gero Schmidt. “Conformation-Selective Adsorption of 2,3-Butanediol on Si(001).” Surface Science, 2005, pp. 191–96, doi:10.1016/j.susc.2005.04.029.
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| DOI
2005 | Journal Article | LibreCat-ID: 13705
Leitsmann, R., et al. “Second-Harmonic Polarizability Including Electron-Hole Attraction from Band-Structure Theory.” Physical Review B, vol. 71, 2005, doi:10.1103/physrevb.71.195209.
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| DOI
2005 | Journal Article | LibreCat-ID: 13706
Hermann, A., et al. “Optical Response Ofπ-Conjugated Molecular Monolayer Adsorbed on the Semiconductor Si(001) Surface: A First-Principles Study.” Physical Review B, vol. 71, 2005, doi:10.1103/physrevb.71.153311.
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| DOI
2005 | Journal Article | LibreCat-ID: 13707
Hermann, Andreas, et al. “Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response.” The Journal of Physical Chemistry B, vol. 109, 2005, pp. 7928–33, doi:10.1021/jp0500182.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13709
Hahn, P. H., et al. “Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding.” Physical Review Letters, vol. 94, 2005, p. 037404, doi:10.1103/physrevlett.94.037404.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13846
Hahn, P. H., et al. “Molecular Electronic Excitations Calculated from a Solid-State Approach: Methodology and Numerics.” Physical Review B, vol. 72, no. 24, 2005, doi:10.1103/physrevb.72.245425.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13710
Ohtake, Akihiro, et al. “Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase.” Physical Review Letters, vol. 93, 2004, p. 266101, doi:10.1103/physrevlett.93.266101.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13711
Seino, K., and Wolf Gero Schmidt. “H2O on Si(001): Surface Optical Anisotropy from First-Principles Calculations.” Surface Science, vol. 571, no. 157, 2004, pp. 157–60, doi:10.1016/j.susc.2004.08.012.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13712
Schmidt, Wolf Gero, et al. “Oxidation- and Organic-Molecule-Induced Changes of the Si Surface Optical Anisotropy:Ab Initiopredictions.” Journal of Physics: Condensed Matter, vol. 16, 2004, pp. S4323–34, doi:10.1088/0953-8984/16/39/007.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13713
Palummo, M., et al. “The Bethe–Salpeter Equation: A First-Principles Approach for Calculating Surface Optical Spectra.” Journal of Physics: Condensed Matter, vol. 16, 2004, pp. S4313–22, doi:10.1088/0953-8984/16/39/006.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13715
Preuss, M., et al. “Methylchloride Adsorbed on Si(001): An Ab Initio Study.” Applied Surface Science, vol. 234, 2004, pp. 155–61, doi:10.1016/j.apsusc.2004.05.041.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13716
Fleischer, K., et al. “Atomic Indium Nanowires on Si(111): The (4 × 1)–(8 × 2) Phase Transition Studied with Reflectance Anisotropy Spectroscopy.” Applied Surface Science, vol. 234, 2004, pp. 302–06, doi:10.1016/j.apsusc.2004.05.114.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13717
Seino, K., et al. “Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection.” Physical Review Letters, vol. 93, no. 3, 2004, doi:10.1103/physrevlett.93.036101.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13718
Preuss, M., et al. “Methyl Chloride Adsorption on Si(001)−Electronic Structure.” The Journal of Physical Chemistry B, vol. 108, 2004, pp. 7809–13, doi:10.1021/jp049661z.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13719
Seino, K., et al. “Organic Modification of Surface Electronic Properties: A First-Principles Study of Uracil on Si(001).” Physical Review B, vol. 69, 2004, p. 245309, doi:10.1103/physrevb.69.245309.
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| DOI