Magnetic properties of 3C-SiC nanowires doped by transition metal and vacancy

Abstract

The electronic structures and magnetic properties of V, Cr and Mn-doped 3C-SiC nanowires without or with vacancy were studied by first-principles calculations. The results reveal that the V, Cr and Mn doped nanowires are all spin half-metal materials and possess stable ferromagnetism. The magnetism originate from the hybridization of TM-3d, C-2p and Si-3p states. Among them, Cr-doped nanowire possesses the highest Curie temperature. When transition metals coexist with a vacancy, the magnetic coupling of V-doped nanowire changes from stable ferromagnetism to stable antiferromagnetism, and the Cr-doped and Mn-doped nanowires still possess stable ferromagnetism, but the Curie temperature is reduced.