Dynamical mean-field theory of a correlated gap formation in plutonium monochalcogenides

M. T. Suzuki, P. M. Oppeneer

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)

Abstract

The correlated Kondo insulator state of the plutonium monochalcogenides is investigated using the dynamical mean-field theory (DMFT) in fluctuating-exchange approximation and the local-density approximation+U (LDA+U). The DMFT-dynamical fluctuations lead to a correlated insulator state at elevated temperature, in sharp contrast to the static LDA+U approach that fails to reproduce both the insulating behavior and anomalous lattice constant. The DMFT conversely predicts the experimentally observed anomalous increase of the gap with pressure and explains the lattice constant very well.

Original languageEnglish
Article number161103
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume80
Issue number16
DOIs
Publication statusPublished - 2009 Oct 21
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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