We investigate the normal state of the superconducting compound PuCoGa5 using the combination of density functional theory (DFT) and dynamical mean field theory (DMFT), with the continuous time quantum Monte Carlo (CTQMC) and the vertex-corrected one-crossing approximation (OCA) as the impurity solvers. Our DFT+DMFT(CTQMC) calculations suggest a strong tendency of Pu-5f orbitals to differentiate at low temperatures. The renormalized 5f5/2 states exhibit a Fermi-liquid behavior whereas one electron in the 5f7/2 states is at the edge of a Mott localization. We find that the orbital differentiation is manifested as the removing of 5f7/2 spectral weight from the Fermi level relative to DFT. We corroborate these conclusions with DFT+DMFT(OCA) calculations which demonstrate that 5f5/2 electrons have a much larger Kondo scale than the 5f7/2.
@article{arxiv.1710.06956,
title = {Orbital-dependent correlations in PuCoGa$_5$},
author = {W. H. Brito and S. Choi and Y. X. Yao and G. Kotliar},
journal= {arXiv preprint arXiv:1710.06956},
year = {2018}
}