Electronic structures and magnetic properties of (Ni,Al) co-doped 4H-SiC: A first-principles study

A 3 × 3 × 1 supercell model of 4H-SiC with 72 atoms. One of the two Ni dopants is fixed at the position labeled Ni0, The Si atoms labeled by 1-10 are the sites to be replaced by the other doped Ni atoms.133