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 language | English |
|---|---|
| Pages (from-to) | 2453-2461 |
| Journal | Journal of Physics C: Solid State Physics |
| Volume | 21 |
| Issue number | 13 |
| DOIs | |
| Publication status | Published - 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