Magnetic properties of trimers of heavy p-elements of groups IV–VI

Abstract

The magnetic properties of single- and multicomponent trimers of heavy p-elements of Groups IV-VI (Pb, Bi, Te) with a pronounced relativistic effect, as well as their anions and cations, are studied. Spin and orbital magnetic moments of the considered clusters are calculated using the formalism of the density functional theory. For most clusters, calculations reveal nonzero magnetic moments. It is shown that the spin-orbit coupling significantly affects the spin magnetic moment in such clusters. The energy of magnetic anisotropy is calculated for all neutral and charged trimers and the direction of the easy magnetization axis is determined.