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24 Publications
2024 | Journal Article | LibreCat-ID: 60581
I. A. Ruiz Alvarado, C. Dreßler, and W. G. Schmidt, “Band alignment at InP/TiO2 interfaces from density-functional theory,” Journal of Physics: Condensed Matter, vol. 37, no. 7, Art. no. 075001, 2024, doi: 10.1088/1361-648x/ad9725.
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 13429 | 
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
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2017 | Journal Article | LibreCat-ID: 13418
S. Sanna and W. G. Schmidt, “LiNbO3 surfaces from a microscopic perspective,” Journal of Physics: Condensed Matter, Art. no. 413001, 2017, doi: 10.1088/1361-648x/aa818d.
LibreCat
| DOI
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, Art. no. 465901, 2017, doi: 10.1088/1361-648x/aa8f79.
LibreCat
| DOI
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.
LibreCat
| DOI
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.
LibreCat
| DOI
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, Art. no. 253201, 2014, doi: 10.1088/0953-8984/26/25/253201.
LibreCat
| DOI
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
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| DOI
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, Art. no. 195503, 2012, doi: 10.1088/0953-8984/24/19/195503.
LibreCat
| DOI
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.
LibreCat
| DOI
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, Art. no. 185001, 2009, doi: 10.1088/0953-8984/21/18/185001.
LibreCat
| DOI
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, Art. no. 395502, 2009, doi: 10.1088/0953-8984/21/39/395502.
LibreCat
| DOI
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, Art. no. 225003, 2008, doi: 10.1088/0953-8984/20/22/225003.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 23498
T. Meier, M. Reichelt, S. W. Koch, and U. Höfer, “Femtosecond time-resolved five-wave mixing at silicon surfaces,” Journal of Physics: Condensed Matter, vol. 17, no. 8, pp. S221–S244, 2005, doi: 10.1088/0953-8984/17/8/003.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 23499
T. Meier, M. Reichelt, S. W. Koch, and U. Höfer, “Femtosecond time-resolved five-wave mixing at silicon surfaces,” Journal of Physics: Condensed Matter, vol. 17, no. 8, pp. S221–S244, 2005, doi: 10.1088/0953-8984/17/8/003.
LibreCat
| DOI