The electronic paramagnetic resonance (EPR) parameters (g factors g(parallel to), g(perpendicular to) and zero-field splitting D) of Ni3+ ions at both M+ (M = Cu, Ag) and Ga3+ sites in MGaS2 ternary semiconductors are calculated from the high-order perturbation formulas based on the two spin-orbit (SO) coupling parameter model for 3d(7) ions in tetragonal symmetry. The calculated results suggest that Ni3+ ions replace the monovalent M+ ions in MGaS2 crystals. This point is contrary to the previous assumption that Ni3+ ions substitute for the isovalent Ga3+ ions to attain the charge neutrality. The reasonableness of the suggestion is discussed. (c) 2006 Elsevier B.V. All rights reserved.
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