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27 Publications


2019 | Journal Article | LibreCat-ID: 13429 | OA
A. Bocchini, S. Neufeld, U. Gerstmann, and W. G. Schmidt, “Oxygen and potassium vacancies in KTP calculated from first principles,” Journal of Physics: Condensed Matter, vol. 31, p. 385401, 2019, doi: 10.1088/1361-648x/ab295c.
LibreCat | DOI | Download (ext.)
 

2017 | Journal Article | LibreCat-ID: 7481
A. Riefer et al., “Zn–VI quasiparticle gaps and optical spectra from many-body calculations,” Journal of Physics: Condensed Matter, vol. 29, no. 21, 2017.
LibreCat | Files available | DOI | WoS | PubMed | Europe PMC
 

2017 | Journal Article | LibreCat-ID: 13418
S. Sanna and W. G. Schmidt, “LiNbO3 surfaces from a microscopic perspective,” Journal of Physics: Condensed Matter, 2017.
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2017 | Journal Article | LibreCat-ID: 13803
P. Giannozzi et al., “Advanced capabilities for materials modelling with Quantum ESPRESSO,” Journal of Physics: Condensed Matter, vol. 29, no. 46, 2017.
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2015 | Journal Article | LibreCat-ID: 10030
M. Friedrich, A. Riefer, S. Sanna, W. G. Schmidt, and A. Schindlmayr, “Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory,” Journal of Physics: Condensed Matter, vol. 27, no. 38, 2015.
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2015 | Journal Article | LibreCat-ID: 13922
H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,” Journal of Physics: Condensed Matter, vol. 27, no. 44, Art. no. 445501, 2015, doi: 10.1088/0953-8984/27/44/445501.
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2015 | Journal Article | LibreCat-ID: 22946
H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,” Journal of Physics: Condensed Matter, vol. 27, no. 44, Art. no. 445501, 2015, doi: 10.1088/0953-8984/27/44/445501.
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2014 | Journal Article | LibreCat-ID: 13511
M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides,” Journal of Physics: Condensed Matter, vol. 26, 2014.
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2013 | Journal Article | LibreCat-ID: 7260
D. J. Carrad et al., “The effect of (NH4)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices,” Journal of Physics: Condensed Matter, vol. 25, no. 32, 2013.
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2013 | Journal Article | LibreCat-ID: 4111
T. Riedl et al., “Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu–Ag alloys,” Journal of Physics: Condensed Matter, vol. 25, no. 11, 2013.
LibreCat | Files available | DOI
 

2012 | Journal Article | LibreCat-ID: 18542
C. Friedrich, M. Betzinger, M. Schlipf, S. Blügel, and A. Schindlmayr, “Hybrid functionals and GW approximation in the FLAPW method,” Journal of Physics: Condensed Matter, vol. 24, no. 29, 2012.
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2012 | Journal Article | LibreCat-ID: 7325
J. Schuster, T. Y. Kim, E. Batke, D. Reuter, and A. D. Wieck, “Photoluminescence lineshape features of carbon δ-doped GaAs heterostructures,” Journal of Physics: Condensed Matter, vol. 24, no. 16, 2012.
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2012 | Journal Article | LibreCat-ID: 13545
M. Landmann, E. Rauls, and W. G. Schmidt, “The electronic structure and optical response of rutile, anatase and brookite TiO2,” Journal of Physics: Condensed Matter, vol. 24, 2012.
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2011 | Journal Article | LibreCat-ID: 29677
A. Helmstedt et al., “Spin resolved photoelectron spectroscopy of [Mn6IIICrIII]3 +single-molecule magnets and of manganese compounds as reference layers,” Journal of Physics: Condensed Matter, vol. 23, no. 26, Art. no. 266001, 2011, doi: 10.1088/0953-8984/23/26/266001.
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2009 | Journal Article | LibreCat-ID: 13662
S. Blankenburg and W. G. Schmidt, “Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions,” Journal of Physics: Condensed Matter, vol. 21, 2009.
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2009 | Journal Article | LibreCat-ID: 13802
P. Giannozzi 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, 2009.
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2008 | Journal Article | LibreCat-ID: 4557
A. Zrenner et al., “Coherent optoelectronics with single quantum dots,” Journal of Physics: Condensed Matter, vol. 20, no. 45, 2008.
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2008 | Journal Article | LibreCat-ID: 8616
F. J. Kaiser et al., “Theoretical and experimental investigations of Coulomb blockade in coupled quantum dot systems,” Journal of Physics: Condensed Matter, 2008.
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2008 | Journal Article | LibreCat-ID: 13672
A. Hermann, P. Schwerdtfeger, and W. G. Schmidt, “Theoretical study of the localization of excess electrons at the surface of ice,” Journal of Physics: Condensed Matter, vol. 20, 2008.
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2007 | Journal Article | LibreCat-ID: 8629
A. Pugžlys et al., “Charge and spin dynamics in a two-dimensional electron gas,” Journal of Physics: Condensed Matter, 2007.
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