Electron correlation and relativistic effects on the electronic properties of a plutonium and americium mixed oxide (PuAmO₄): from single-particle approximation to dynamical mean-field theory

Abstract

The DFT+DMFT calculation shows that both Pu and Am 5f electrons exhibit coexistence of localized and itinerant regimes. Admixture of 5fn configurations, c–f hybridization, and dual 5f electrons yield mixed-valence states and many-body quasi-particle multiplets.