Abstract
Electronic structure calculations combining the local-density approximation with an exact diagonalization of the Anderson impurity model show an intermediate 5-5-valence ground state and delocalization of the 5 multiplet of the Pu atom 5 shell in PuCoIn, PuCoGa, and -Pu. The 5 local magnetic moment is compensated by a moment formed in the surrounding cloud of conduction electrons. For PuCoGa and -Pu the compensation is complete, and the Anderson impurity ground state is a singlet. For PuCoIn the compensation is partial, and the Pu ground state is magnetic. We suggest that the unconventional -wave superconductivity is likely mediated by the 5-state antiferromagnetic fluctuations in PuCoIn and by valence fluctuations in PuCoGa.
- Received 29 October 2012
DOI:https://doi.org/10.1103/PhysRevB.87.020505
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