First-principles calculations were made of the hyperfine tensors for vacancy-related defects and interstitials. The calculations for the Si vacancy confirmed earlier experimental identifications. The signature of the C vacancy in 4H-SiC, in contrast to the Si vacancy, was found to discriminate between cubic and hexagonal sites. The EI5 center in 4H-SiC could be attributed to a C vacancy at the cubic site. Attribution of the T5 center in 3C-SiC to a C vacancy, or to a complex of a C vacancy with H, was not supported. The EI6 center in 4H-SiC, which was originally identified as being a Si antisite was not compatible with the HF signature of this defect.

Signature of Intrinsic Defects in SiC - ab initio Calculations of Hyperfine Tensors. M.Bockstedte, M.Heid, O.Pankratov: Physical Review B, 2003, 67[19], 193102 (4pp)