Actinide oxides under pressure

ORAL

Abstract

We use the self-interaction corrected local spin density approximation to investigate the oxidation of actinide dioxides under pressure. The methodology enables us to determine the ground state valency configuration of the actinide 5f electrons and to study the localization/delocalization transition that occurs under pressure. We argue that this delocalization facilitates the oxidation of the actinide dioxides and present results for the estimated transition pressures.

Authors

  • Leon Petit

    Daresbury Laboratory

  • G. Malcolm Stocks

    Oak Ridge National Laboratory

  • Martin Lueders

    Daresbury Laboratory

  • Zdzislawa Szotek

    Daresbury Laboratory

  • Walter Temmerman

    Daresbury Laboratory

  • A. Svane

    Aarhus University, Denmark, Aarhus University