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Free keywords:
phonons; superconductivity; electronic structure; electron correlations
Abstract:
We have performed the density-functional calculations for PuCoGa5 superconductor, including the local Coulomb interaction U for 5f states on Pu. For the optimized structure, we obtained the phonon spectrum using the direct method. We analyze the influence of U and electronic ground state on the phonon density of states of PuCoGa5, comparing it with phonon spectrum of the isostructural compound UCoGa5. (C) 2007 Elsevier B.V. All rights reserved.
