Local distortion and zero-field splittings of 3d⁵ ions in oxide crystals

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Abstract

A lattice relaxation model is employed to calculate the distorted ligand positions of Mn²⁺ and Fe³⁺ doped in cubic sites of some alkaline-earth metal oxides and the non-cubic sites of Fe³⁺:MgO as well. A superposition model analysis is then carried out for the spin parameters of the ⁶S5/2 ground-state zero-field splittings of both 3d⁵ ions. A consistent set of intrinsic parameters is obtained which gives good predictions for the spin parameters of Fe³⁺ in non-cubic sites of MgO and Mn²⁺ in the C3i site of some garnets. Copyright © 1988 IOP Publishing Ltd.
Original languageEnglish
Pages (from-to)2453-2461
JournalJournal of Physics C: Solid State Physics
Volume21
Issue number13
DOIs
Publication statusPublished - 1988

Citation

Yeung, Y. Y. (1988). Local distortion and zero-field splittings of 3d⁵ ions in oxide crystals. Journal of Physics C: Solid State Physics, 21(13), 2453-2461. doi: 10.1088/0022-3719/21/13/010

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