Pressure Induced Valence Transitions in f-Electron Systems
Temmerman, W. M. · Svane, A. · Petit, L. · Lueders, M. · Strange, P. · Szotek, Z.
الأصل · EN
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 alpha to gamma phase transition in Ce.
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