Abstract

The axial Ti 2+ center in a nearly wholly cubic ZnS crystal is assigned to the Ti 2+ ion on the hexagonal site of wurtzite structure caused by stacking faults. On the ground of the assignment, the EPR parameters (zero-field splitting D, g factor g ∥ and g-anisotropy Δ g = g ∥ − g ⊥) of the axial Ti 2+ center are calculated from the high-order perturbation formulas based on the cluster approach for the EPR parameters of 3d 2 ion in trigonal symmetry. From the calculations, the local atom-position parameter u loc (which is different from the corresponding parameter u in the host wurtzite structure) and hence the defect structure of the Ti 2+ center are estimated. The results (the calculated EPR parameters and the defect structure) are discussed.

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