Electronic structure calculations combining the local-density approximation with an exact diagonalization of the Anderson impurity model show an intermediate 5f 5-5f 6-valence ground state and delocalization of the 5f 5 multiplet of the Pu atom 5f shell in PuCoIn5, PuCoGa5, and δ-Pu. The 5f local magnetic moment is compensated by a moment formed in the surrounding cloud of conduction electrons. For PuCoGa5 and δ-Pu the compensation is complete, and the Anderson impurity ground state is a singlet. For PuCoIn5 the compensation is partial, and the Pu ground state is magnetic. We suggest that the unconventional d-wave superconductivity is likely mediated by the 5f -state antiferromagnetic fluctuations in PuCoIn5 and by valence fluctuations in PuCoGa5.
SHIK Alexander;
KOLORENC J.;
RUSZ J.;
OPPENEER P. M.;
LICHTENSTEIN A.I.;
KATSNELSON M.I.;
CACIUFFO Roberto;
2013-05-14
AMER PHYSICAL SOC
JRC75694
1098-0121,
http://prb.aps.org/abstract/PRB/v87/i2/e020505,
https://publications.jrc.ec.europa.eu/repository/handle/JRC75694,
10.1103/PhysRevB.87.020505,
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