Cluster Expansion

Raimund Podloucky
University of Vienna (Universität Wien)
Institut für Physikalische Chemie, Physical Chemistry

VSC project / type: 70294 / funded

VSC-2 / status: 2012-03-26 - 2016-12-29 / finished

Publications:

  • Kerscher Tobias C., Landgraf Wolfgang, Podloucky Raimund, Mueller Stefan
    Adsorbate-induced segregation: First-principles study for C/Pt25Rh75(100)
    PHYSICAL REVIEW B 86, 195420 (2012)

  • Kerscher Tobias C., Schoellhammer Gunther, Herzig Peter, Wolf Walter, Podloucky Raimund, Mueller Stefan
    First-principles study of hydrogen ordering in lanthanum hydride and its effect on the metal-insulator transition
    PHYSICAL REVIEW B 86, 014107 (2012)

  • Reith D., Stoehr M., Podloucky R., Kerscher T. C., Mueller S.
    First-principles modeling of temperature- and concentration-dependent solubility in the phase-separating alloy FexCu1-x
    PHYSICAL REVIEW B 86, 020201 (2012)

  • Lazar Petr, Jahnatek Michal, Hafner Juergen, Nagasako Naoyuki, Asahi Ryoji, Blaas-Schenner Claudia, Stoehr Markus, Podloucky Raimund
    Temperature-induced martensitic phase transitions in gum-metal approximants: First-principles investigations for Ti3Nb
    PHYSICAL REVIEW B 84, 054202 (2011)



[<- Back to: Publications overview]