Conductivity and magnetic properties study on doped semiconductor material of 3C-SiC: A first-principle investigation

摘要

Using the first-principles calculations, the geometrical and electronic structures, including lattice constant, band structure and density of state (DOS) of B, Al, Ga, V, Cr and Mn doped 3C-SiC are systematically calculated. Based on the result, the conductivity mechanism of p-type SiC (B, Al and Ga) is investigated. In addition, the magnetic properties of 3C-SiC doped with 3d-transition metals (V, Cr and Mn) are calculated. The results indicate that Cr doped 3C-SiC system exhibits more stable ferromagnetism and the ferromagnetism results from the exchange splitting of Cr-3d state.