Valence fluctuations and quasiparticle multiplets in plutonium chalcogenides and pnictides

2009/09/25 by Chuck-Hou Yee, Gabriel Kotliar, Kristjan Haule
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Iron-based superconductors research #Rare-earth and actinide compounds #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.81.035105

published as Phys. Rev. B 81, 035105 (2010) · 4 pages, 4 figures

arxiv created 2009/09/25 · openalex publication_date 2010/01/11 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

The spectra of Pu chalcogenides and pnictides are computed with dynamical mean field theory within the local density approximation (LDA+DMFT) and interpreted with the aid of valence histograms and slave-boson calculations. We find the chalcogenides are mixed-valent (n_f=5.2) materials with a strongly T-dependent low-energy density of states and a triplet of quasiparticle peaks below the Fermi level. Furthermore, we predict a doublet of reflected peaks above the Fermi level. In the pnictides, the raising of f⁶ states relative to f⁵ suppresses valence fluctuations, resulting in integral-valent (n_f=5.0) local-moment metals.

Citations

• Correlated electrons in δ-plutonium within a dynamical mean-field picture
• Electronic structure calculations using dynamical mean field theory