Role of electron correlation effects in δ-Pu and “115”-Pu-based unconventional superconductors

Electronic structure calculations combining the local density approximation with an exact diagonalization of the Anderson impurity model show intermediate 5f5–5f6-valence ground state and delocalization of the 5f5 multiplet of the Pu atom 5f-shell in 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. This can be important for analyses of the superconducting pairing mechanism in PuCoGa5. It is likely that in PuCoGa5 unconventional d-wave superconductivity is mediated by the 5f-states valence fluctuations, rather than antiferromagnetic fluctuations.