Abstract
The perturbation formulas of electron paramagnetic resonance parameters D, g // and g ⊥ for a 3d3 ion in a tetragonal octahedral field are established on the basis of Zhao's semi-SCF d-orbit wave functions model. In these formulas, the parameters related to the contributions from the configuration interaction, covalency effect and low-symmetry crystal field can be estimated from the optical spectra and the structural data of the system under study. According to these formulas, the local tetragonal distortion of the Cr3+-(0) center in a Cs2CdCl4 crystal was determined by fitting the calculated to the experimental values. The results showed that these local values of Cs2CrCl4(R 1≈ 0.254 nm and R 2≈ 0.233 nm) were different from those of the host crystal.
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