2006/10/10 by W. M. Temmerman, A. Svane, Temmerman, W. M. +10
Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Molecular Junctions and Nanostructures #Organic and Molecular Conductors Research #cond-mat.supr-con
paper · pdf · doi:10.48550/arxiv.cond-mat/0610263
18 pages, 19 figures, 4 tables, review article
arxiv created 2006/10/10 · arxiv updated 2009/12/01
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.