The electronic structure and magnetic properties of transition metal-doped silicon carbide

Abstract

The band structure and magnetic properties of cubic (3C) and hexagonal (6H) polytypes of silicon carbide doped with 3d transition metals have been studied by ab initio calculations. We demonstrate that for 3C-SiC Cr and Mn produce half-metallic ferromagnetic solutions at both (Si and C) substitution sites, but with different magnetic moments, while SiC:Fe remains paramagnetic. A similar situation has been observed for 6H-SiC; however, Fe on the Si site at low concentrations leads to a ferromagnetic ordering.