Correlated electrons in δ-plutonium within a dynamical mean-field picture

摘要: Given the practical importance of metallic plutonium, there is considerable interest1,2,3 in understanding its fundamental properties. Plutonium undergoes a 25 per cent increase volume4 when transformed from α-phase (which stable below 400 K) to δ-phase (stable at around 600 K), an effect that crucial for issues long-term storage and disposal. It has long been suspected this unique property consequence special location plutonium periodic table, on border between light heavy actinides—here, electron wave–particle duality (or itinerant versus localized behaviour) important5. This situation resisted previous theoretical treatment. Here we report electronic structure method, based dynamical mean-field theory, enables interpolation band-like atomic-like behaviour electron. Our approach us study phase diagram by providing access energetics one-electron spectra strongly correlated systems. We explain origin volume expansion α- δ-phases, predict existence strong quasiparticle peak near Fermi level give new viewpoint physics which δ-phases are opposite sides interaction-driven localization–delocalization transition.