Relativistic Electronic Band Structure and Properties of the Heavier Actinides: A Second Rare-Earth Series

Abstract

The heavier actinides i.e., Am and beyond, have been studied by means of RAPW calculations and are found to differ dramatically from the lighter metals: the 5f electrons appear to be more localized spatially, overlap only weakly with their 5f neighbors and show band widths which are small relative to the Coulomb correlation energy. Hence, just as in the case of the rare‐earth metals, the 5f electrons may not be described by the band model. Instead, a localized description is required in which, as in the rare‐earths, Hund's rule intra‐atomic exchange coupling produces localized 5f magnetic moments which can be ordered magnetically by indirect exchange interaction.