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Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations
Cesare Franchini, R. Podloucky, Joachim Paier, Martijn Marsman, Kresse Georg (2007). Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations. Physical Review B, 75(19), DOI: 10.1103/physrevb.75.195128.
Article187 days agoModeling STM tips by single absorbed atoms on W(100) films: 3d, 4d and 5d transition metal atoms
Werner A. Hofer, J. Redinger, Kresse Georg, R. Podloucky (2000). Modeling STM tips by single absorbed atoms on W(100) films: 3d, 4d and 5d transition metal atoms. APS March Meeting Abstracts
Article169 days agoPolaronic hole-trapping in doped insulating oxide
Cesare Franchini, Kresse Georg, R. Podloucky (2009). Polaronic hole-trapping in doped insulating oxide. Bulletin of the American Physical Society
Article169 days agoDensity functional theory study of MnO by a hybrid functional approach
Cesare Franchini, Valentin Bayer, R. Podloucky, Joachim Paier, Kresse Georg (2005). Density functional theory study of MnO by a hybrid functional approach. Physical Review B, 72(4), DOI: 10.1103/physrevb.72.045132.
Article180 days ago<i>Ab initio</i>calculations of the cohesive, elastic, and dynamical properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CoSi</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>by pseudopotential and all-electron techniques
Robert Stadler, W. Wolf, R. Podloucky, Kresse Georg, J. Furthmüller, J. Häfner (1996). <i>Ab initio</i>calculations of the cohesive, elastic, and dynamical properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CoSi</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>by pseudopotential and all-electron techniques. Physical review. B, Condensed matter, 54(3), pp. 1729-1734, DOI: 10.1103/physrevb.54.1729.
Article180 days ago