Publicaciones en colaboración con investigadoras/es de Vienna University of Technology (5)

2020

  1. The CECAM electronic structure library and the modular software development paradigm

    The Journal of chemical physics, Vol. 153, Núm. 2, pp. 024117

2008

  1. Multiple instabilities in Bi4 Ti3 O12: A ferroelectric beyond the soft-mode paradigm

    Physical Review B - Condensed Matter and Materials Physics, Vol. 77, Núm. 18

2005

  1. Comparison of empirical bond-valence and first-principles energy calculations for a complex structural instability

    Physical Review B - Condensed Matter and Materials Physics, Vol. 72, Núm. 17

2004

  1. Competing structural instabilities in the ferroelectric Aurivillius compound SrBi2Ta2O9

    Physical Review B - Condensed Matter and Materials Physics, Vol. 70, Núm. 21, pp. 1-14

2002

  1. First-principles study of the ferroelastic phase transition in CaCl2

    Physical Review B - Condensed Matter and Materials Physics, Vol. 65, Núm. 13, pp. 1341041-1341048