Pressure induced valence transitions in f -electron systems

Abstract

A review is given of pressure induced valence transitions in f-electron systems calculated with the self-interaction corrected local spin density (SIC-LSD) approximation. These calculations show that the SIC-LSD is able to describe valence changes as a function of pressure or chemical composition. An important finding is the dual character of the f-electrons as either localized or band-like. A finite temperature generalisation is presented and applied to the study of the p-T phase diagram of the α → γ phase transition in Ce.