title: Electronic coherence in delta-Pu: a dynamical mean-field theory study.
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.
authors.affiliation: Lawrence Livermore National Laboratory, Livermore, CA, USA.
authors.forename: C A
authors.initials: CA
authors.lastname: Marianetti
authors.forename: K
authors.initials: K
authors.lastname: Haule
authors.forename: G
authors.initials: G
authors.lastname: Kotliar
authors.forename: M J
authors.initials: MJ
authors.lastname: Fluss