Electronic coherence in $δ$-Pu: A DMFT study - Condensed Matter > Strongly Correlated ElectronsReportar como inadecuado




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Abstract: A combination of Density Functional Theory and the Dynamical Mean Fieldtheory DMFT is used to calculate the magnetic susceptibility, heat capacity,and the temperature dependence of the valence band photoemission spectra. Thecontinuous-time hybridization expansion quantum Monte-Carlo is utilized toprovide the first approximation-free DMFT solution of \emph{fcc} $\delta$-Puwhich includes the full rotationally-invariant exchange interaction. We predictthat $\delta$-Pu has a Pauli-like magnetic susceptibility near ambienttemperature, as in experiment, indicating that electronic coherence causes theabsence of local moments. Additionally, We show that volume expansion causes acrossover from incoherent to coherent electronic behavior at increasingly lowertemperatures.



Autor: C.A. Marianetti, K. Haule, G. Kotliar, M.J. Fluss

Fuente: https://arxiv.org/







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