Self-interaction-corrected description of the electronic properties of americium monochalcogenides and monopnictides - art. no. 165107

We calculate the electronic structure of the Am monopnictides and monochalc ogenides with the help of the nb initio self-interaction-corrected local sp in-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 c onfiguration, respectively. From calculations of the total energy versus la ttice constant, the valency configuration of the ground state can thus be e stablished. We find that the Am pnictides are well-described by a trivalent Am configuration, while in the chalcogenides, a transition to a divalent A m configuration occurs around AmTe.