Electronic Structure and Magnetic Properties of Transition Metal Doped Silicon Carbide

Abstract

ABSTRACTThe magnetic properties of cubic (3C) silicon carbide (SiC) doped by first row transition metals (TM) are studied within the local spin density functional approach using the linearized muffin-tin orbital (LMTO) method in the atomic sphere approximation (ASA). The magnetic properties are found to depend strongly on the doping site. For the preferred doping site (Si), Cr and Mn exhibit the most pronounced magnetic behavior with Cr favoring ferromagnetic coupling and Mn antiferromagnetic coupling.