Investigation of the Lutetium--Hydrogen System Based on First Principles

Peter Herzig
University of Vienna (Universität Wien)
Institut für Physikalische Chemie, Physikalische Chemie

VSC project / type: 70175 / funded

VSC-1 / status: 2010-11-04 - 2015-03-29 / finished
VSC-2 / status: 2012-01-02 - 2017-07-07 / finished

Publications:

  • Schoellhammer Gunther, Herzig Peter, Wolf Walter
    First-principles structure optimization of scandium and lutetium trihydrides
    JOURNAL OF ALLOYS AND COMPOUNDS 696, 96 (2017)

  • Schoellhammer Gunther, Karsai Ferenc, Herzig Peter
    Fluorite-Type Rare-Earth Hydrides Studied from First Principles In ``Properties of Fluorite Structure Materials'', Editors:
    Nova Science Publishers (N.Y., USA)

  • Schoellhammer Gunther, Herzig Peter
    Elastic constants of La, LaH2, and LaH3
    MONATSHEFTE FUR CHEMIE 143, 1325 (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)



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