Electronic coherence in delta-Pu: a dynamical mean-field theory study

Phys Rev Lett. 2008 Aug 1;101(5):056403. doi: 10.1103/PhysRevLett.101.056403. Epub 2008 Aug 1.

Abstract

A combination of density functional theory and the dynamical mean-field theory (DMFT) is used to calculate the magnetic susceptibility, heat capacity, and the temperature dependence of the valence band photoemission spectra for delta-Pu. We predict that delta-Pu has a Pauli-like magnetic susceptibility near ambient temperature, as in experiment, indicating that electronic coherence causes the absence of local moments. Additionally, we show that volume expansion causes a crossover from incoherent to coherent electronic behavior at increasingly lower temperatures.