Previous defect theories and bond-orbital models were combined in order to calculate the wave function and the hyperfine interaction tensor of the SbGa hetero-antisite defect. The defect potential was here extended to nearest-neighbor sites. The hyperfine interaction constants were found to be in good agreement with electron paramagnetic resonance data. The results showed that the outward relaxation of nearest-neighbor atoms had to be taken into account in the quantitative description of this defect.

S.G.Shen, D.X.Zhang, X.Q.Fan: Physical Review B, 1994, 50[16], 11546-51