Abstract

Wide band gap semiconductors doped by transition metals are attracting much attention in part because of
possible ‘spintronics’ applications. Using pseudo-potential plane-wave calculations and density functional theory
(DFT), we studied effects of doping Mn of various concentrations on the cubic silicon carbide structure (?-SiC).
Band structures and density of states (DOSs) were calculated for ?-SiC and Si1-xMnxC (with x= 0.0313, 0.0625,
and 0.25). Analyses of the DOSs revealed that the diluted ferromagnetic semiconductor Si1-xMnxC, i.e. SiC with
Mn substituted for Si, should be a half-metal. Our results show spin polarization at Fermi energy (Ef), and a
stable ferromagnetic state for x= 0.0625.

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