Abstract
A theoretical method for investigating the inter-relation between the electronic and the molecular structures of a d 5 ion in a tetragonal ligand-field has been established on the basis of a 252 × 252 complete energy matrix. Using this method, the local structure parameters of the Fe 3+–V M system in AMF 3:Fe 3+ crystals are determined by the experimental EPR spectra at T = 300 K. It is shown that, the local lattice structure around an octahedral Fe 3+ center has a compression distortion along the crystalline axis in AMF 3:Fe 3+ crystal. From our analysis, we also conclude that Δ R vs. 10 4 b 2 0 is approximately linear for the Fe 3+–V M system in AMF 3:Fe 3+ crystals.
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