An electronic structure study of single native defects in beta -SiC

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Abstract
The linear muffin-tin orbital method in the tight-binding representation is adopted to study the electronic structures of the native defects in beta -SiC with the Green function approach. The original potential parameters are obtained by the standard band calculation of bulk beta -SiC and the change in the potential parameters is obtained self-consistently. It is found that the silicon vacancy acts as an acceptor and the carbon vacancy acts as a donor with the split-off states at 0.45 and 1.67 eV above the valence band maximum. For the antisite defects, there is no split-off state in the band gap.