Site and orbital selective correlations in $\beta$-Pu

Abstract

We investigate the electronic structure of the highly anisotropic $\beta$ phase of metallic plutonium, within the combination of density functional theory (DFT) and dynamical mean field theory (DMFT). Its crystal structure gives rise to site and orbital selective electronic correlations, with coherent Pu-5$f_{5/2}$ states and very incoherent Pu-5$f_{7/2}$ states. The Hund's coupling is essential for determining the level of correlations of electrons in Pu-5$f$ states, and for the quasiparticle multiplets features in the Pu-5$f$ spectral function.

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Cited by in corpus (8)

• Nature of the 5$f$ electronic structure of plutonium
• Emergence of quasiparticle multiplets in curium
• Electronic Correlation Induced Expansion of Compensated Electron and Hole Fermi Pockets in delta-Plutonium
• Correlation strength and orbital differentiation across the phase diagram of plutonium metal
• Temperature-driven hidden 5f itinerant-localized crossover in heavy-fermion compound PuIn3
• Collapse of quasiparticle multiplets and $5f$ itinerant-localized crossovers in cubic phase Pu${}_3$Ga
• Unraveling exotic 5$f$ states and paramagnetic phase of PuSn${}_3$
• Correlated 5f electronic states and phase stability in americium under high pressure: Insights from DFT+DMFT calculations