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• W2765669132 abstract "We investigate the normal state of the superconducting compound PuCoGa$_5$ 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-5$f$ orbitals to differentiate at low temperatures. The renormalized 5$f_{5/2}$ states exhibit a Fermi-liquid behavior whereas one electron in the 5$f_{7/2}$ states is at the edge of a Mott localization. We find that the orbital differentiation is manifested as the removing of 5$f_{7/2}$ spectral weight from the Fermi level relative to DFT. We corroborate these conclusions with DFT+DMFT(OCA) calculations which demonstrate that 5$f_{5/2}$ electrons have a much larger Kondo scale than the 5$f_{7/2}$." @default.
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• W2765669132 date "2018-07-27" @default.
• W2765669132 modified "2023-10-14" @default.
• W2765669132 title "Orbital-dependent correlations in <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi>PuCoGa</mml:mi><mml:mn>5</mml:mn></mml:msub></mml:math>" @default.
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• W2765669132 doi "https://doi.org/10.1103/physrevb.98.035143" @default.
• W2765669132 hasPublicationYear "2018" @default.
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