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356 Publications
2017 | Journal Article | LibreCat-ID: 10023 | 
Schmidt, Falko, et al. “Consistent Atomic Geometries and Electronic Structure of Five Phases of Potassium Niobate from Density-Functional Theory.” Advances in Materials Science and Engineering, vol. 2017, 3981317, Hindawi, 2017, doi:10.1155/2017/3981317.
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2016 | Journal Article | LibreCat-ID: 13458
Liebhaber, M., et al. “Vibration Eigenmodes of the Au-(5×2)/Si(111) Surface Studied by Raman Spectroscopy and First-Principles Calculations.” Physical Review B, vol. 94, no. 23, 2016, doi:10.1103/physrevb.94.235304.
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2016 | Journal Article | LibreCat-ID: 10024 |
Riefer, Arthur, et al. “LiNbO3 Electronic Structure: Many-Body Interactions, Spin-Orbit Coupling, and Thermal Effects.” Physical Review B, vol. 93, no. 7, 075205, American Physical Society, 2016, doi:10.1103/PhysRevB.93.075205.
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2016 | Journal Article | LibreCat-ID: 10025
Friedrich, Michael, et al. “LiTaO3 Phonon Dispersion and Ferroelectric Transition Calculated from First Principles.” Physica Status Solidi B, vol. 253, no. 4, Wiley-VCH, 2016, pp. 683–89, doi:10.1002/pssb.201552576.
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2016 | Journal Article | LibreCat-ID: 13475
Timmer, F., et al. “Strain-Induced Quasi-One-Dimensional Rare-Earth Silicide Structures on Si(111).” Physical Review B, vol. 94, no. 20, 2016, doi:10.1103/physrevb.94.205431.
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2016 | Journal Article | LibreCat-ID: 13476
Vollmers, Nora Jenny, et al. “Experimental and Theoretical High-Energy-Resolution X-Ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State.” Inorganic Chemistry, vol. 55, 2016, pp. 11694–706, doi:10.1021/acs.inorgchem.6b01704.
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2016 | Journal Article | LibreCat-ID: 13477
Witte, Matthias, et al. “Optical Response of the Cu2S2diamond Core in Cu2II(NGuaS)2Cl2.” Journal of Computational Chemistry, vol. 37, no. 23–24, 2016, pp. 2181–92, doi:10.1002/jcc.24439.
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2016 | Journal Article | LibreCat-ID: 13478
Speiser, E., et al. “Surface Vibrational Raman Modes of In:Si(111)(4×1)and(8×2)Nanowires.” Physical Review B, vol. 94, no. 7, 2016, doi:10.1103/physrevb.94.075417.
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2016 | Journal Article | LibreCat-ID: 13479
Lücke, Andreas, et al. “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles.” The Journal of Physical Chemistry B, vol. 120, 2016, pp. 5572–80, doi:10.1021/acs.jpcb.6b03598.
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2016 | Journal Article | LibreCat-ID: 13480
Paulheim, A., et al. “Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces.” The Journal of Physical Chemistry C, vol. 10, 2016, pp. 11926–37, doi:10.1021/acs.jpcc.6b01956.
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2016 | Journal Article | LibreCat-ID: 13481
Jeckelmann, Eric, et al. “Grand Canonical Peierls Transition in In/Si(111).” Physical Review B, vol. 93, no. 24, 2016, doi:10.1103/physrevb.93.241407.
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2016 | Journal Article | LibreCat-ID: 13485
Sanna, S., et al. “Rare-Earth Silicide Thin Films on the Si(111) Surface.” Physical Review B, vol. 93, no. 19, 2016, doi:10.1103/physrevb.93.195407.
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2016 | Journal Article | LibreCat-ID: 13488
Miccoli, I., et al. “Atomic Size Effects Studied by Transport in Single Silicide Nanowires.” Physical Review B, 2016, doi:10.1103/physrevb.93.125412.
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2016 | Journal Article | LibreCat-ID: 13491
Schöfberger, Wolfgang, et al. “A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water.” Angewandte Chemie International Edition, 2016, pp. 2350–55, doi:10.1002/anie.201508404.
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2016 | Journal Article | LibreCat-ID: 13492
Tebi, Stefano, et al. “Manipulation Resolves Non-Trivial Structure of Corrole Monolayer on Ag(111).” Nanotechnology, vol. 27, 025704, 2016, doi:10.1088/0957-4484/27/2/025704.
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2016 | Journal Article | LibreCat-ID: 13815
Paulheim, A., et al. “Surface Induced Vibrational Modes in the Fluorescence Spectra of PTCDA Adsorbed on the KCl(100) and NaCl(100) Surfaces.” Physical Chemistry Chemical Physics, vol. 18, 2016, pp. 32891–902, doi:10.1039/c6cp05661j.
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2016 | Journal Article | LibreCat-ID: 13816
Yeom, Han Woong, et al. “Impurity-Mediated Early Condensation of a Charge Density Wave in an Atomic Wire Array.” ACS Nano, vol. 10, 2016, pp. 810–14, doi:10.1021/acsnano.5b05925.
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2016 | Journal Article | LibreCat-ID: 10026
Rüsing, Michael, et al. “Vibrational Properties of LiNb1−xTaxO3 Mixed Crystals.” Physical Review B, 2016, doi:10.1103/physrevb.93.184305.
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2015 | Journal Article | LibreCat-ID: 10027
Landmann, M., et al. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.” Physical Review B, 2015, doi:10.1103/physrevb.91.035302.
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2015 | Journal Article | LibreCat-ID: 10029
Braun, Christian, et al. “Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces.” The Journal of Physical Chemistry C, 2015, pp. 9342–46, doi:10.1021/acs.jpcc.5b00894.
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