Self-interaction-corrected description of the electronic properties of americium monochalcogenides and monopnictides

We calculate the electronic structure of the Am monopnictides and monochalcogenides with the help of the nb initio self-interaction-corrected local spin-density approximation. This allows us to describe the Am ion with either a localized f(6) or f(7) shell, corresponding to a trivalent or divalent configuration, respectively. From calculations of the total energy versus lattice constant, the valency configuration of the ground state can thus be established. We find that the Am pnictides are well-described by a trivalent Am configuration, while in the chalcogenides, a transition to a divalent Am configuration occurs around AmTe.