Calculations were performed by applying the self-consistent unrestricted Hartree-Fock-Roothan method in the MNDO approximation to a cluster of 35 host atoms of cubic SiC with B as impurity. The equilibrium geometry and the hyperfine and quadrupole constants were obtained and were compared with experimental values. The resultant parameters revealed the main features of B impurities in SiC.

T.L.Petrenko, A.A.Bugai, V.G.Baryakhtar, V.V.Teslenko, V.D.Khavryutchenko: Semiconductor Science and Technology, 1994, 9[10], 1849-52