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

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Alkaline earth metals
Crystals
Oxides
oxides
Garnets
Ions
Crystal lattices
Ground state
alkaline earth oxides
crystals
ions
alkaline earth metals
Ligands
garnets
metal oxides
ligands
ground state
predictions

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