The Peculiarities of Americium Electronic Structure and Magnetic Susceptibility

Abstract

By implementing a self-consistent procedure that combines the calculations of electronic spectrum within LDA+U+SO approximation with a generalized spin-fluctuation s(p)df-model, we have calculated the densities of states and temperature dependence of magnetic susceptibility of Americium. It was revealed that in the vicinity of the Fermi energy the densities of states of Am d-electrons become comparable to its f-electron densities of states that leads to that both bands make comparable contributions to the spin magnetic susceptibility. It is shown that the unusual transition from Curie-like to Pauli-like magnetic susceptibility, which is observed in Am, is caused by coexistence in Am of electronic states of two types—the localized, responsible for the formation of Curie-like susceptibility and the itinerant, which lead to temperature-independent magnetic susceptibility.