Density-functional theory calculations were performed in order to study the energetic stability and the electronic structures of the negatively-charged nitrogen-silicon-vacancy center (N-VSi)− in cubic silicon carbide (3C–SiC). It was shown that the (N-VSi)− center was energetically preferred in n-type 3C–SiC and possesses a stable 3A2 ground state and doubly degenerated 3E excited states. The (N-VSi)− centers prefer to couple weakly in an antiferromagnetic way, triggered by super-exchange between them. The work indicated that 3C–SiC might be an economical candidate material to achieve a solid state qubit operation beyond diamond

First-Principles Prediction of the Negatively-Charged Nitrogen-Silicon-Vacancy Center in Cubic Silicon Carbide. F.Pan, M.Zhao, L.Mei: Journal of Applied Physics, 2010, 108[4], 043917