材料期刊网

The zero-field splitting D and g factors g(parallel to) and g(perpendicular to) for Ti2+ ions in CdS and CdSe crystals are calculated from the high-order perturbation formulas of EPR parameters based on the two-spin-orbit (SO) coupling parameter model. In this model, the contributions to EPR parameters from both the SO coupling parameter of the central 3d(2) ion and that of the ligand are considered. The calculated results show good agreement with the observed values. Comparing these results with those calculated from the conventional one-SO-parameter model where the contributions only from the SO coupling parameter of the 3d(2) ion are considered, it suggests that the calculations of EPR parameters D. g(parallel to) and g(perpendicular to) for 3d(2) ions in tetrahedrally coordinated semiconductors should prefer the two-SO-parameter model over the one-SO-parameter model. (C) 1999 Elsevier Science B.V. All rights reserved.