Work

Site and orbital selective correlations in β -Pu

Year: 2019

Type: article

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

Source: Physical review. B./Physical review. B

DOI: 10.1103/physrevb.99.125113

Authors: W. H. Brito, G. Kotliar

Institutions: Rutgers, The State University of New Jersey, Brookhaven National Laboratory

Language: English

Topic: Rare-earth and actinide compounds

Subfield: Condensed Matter Physics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funders: U.S. Department of Energy, Basic Energy Sciences

Award: G7132524318