Localization-delocalization transitions in strongly correlated electron systems

COFFEE_KLATCH · Invited

Abstract

Correlations can give rise to localization of charge and spin of electrons. A methodology will be presented which allows to describe localized states and also localization- delocalization transitions as a function of pressure or doping. The method is the self-interaction- corrected local-spin-density approximation (SIC-LSDA) to density functional theory. The SIC- LSDA can differentiate between localized and itinerant electrons. Results of calculations for 4f, 5f and 3d compounds will illustrate the method.

Authors

  • Walter Temmerman

    Daresbury Laboratory, UK