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.
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Authors
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Walter Temmerman
Daresbury Laboratory, UK