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