Dynamical mean field theory of correlated gap formation in Pu monochalcogenides

Abstract

The correlated Kondo insulator state of the plutonium monochalcogenides is investigated using the dynamical mean field theory (DMFT) 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.

4 pages, 4 figures

References in corpus (3)

• What is the valence of a correlated solid? The double life of delta-plutonium
• Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
• Spectral Properties of delta-Plutonium: Sensitivity to 5f Occupancy

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