Theoretical and electron paramagnetic resonance studies of hyperfine interaction in nitrogen doped 4H and 6H SiC

Motivated by recent experimental findings on the hyperfine signal of nitrogen donor (N-C) in 4H and 6H SiC, we calculate the hyperfine tensors within the framework of density functional theory. We find that there is negligible hyperfine coupling with Si-29 isotopes when NC resides at h site both in 4H and 6H SiC. We observe measurable hyperfine coupling to a single Si-29 at k site in 4H SiC and k(1) site in 6H SiC. Our calculations unravel that such Si-29 hyperfine coupling does not occur at k(2) site in 6H SiC. Our findings are well corroborated by our new electron paramagnetic resonance studies in nitrogen doped 6H SiC. (C) 2014 AIP Publishing LLC.