Abstract
The ionic positions of Gd³⁺ at orthorhombic sites in CaF₂ with a nearby charge-compensating M⁺ ion (M=Li, Na, K, Rb and Cs) are calculated from a reliable lattice relaxation model. The results are then employed in superposition model analyses of the corresponding spin parameters of the ground state 4f⁷ ⁸S7/2 splitting of the Gd³⁺ ion available in the literature. The superposition model analyses indicate that the spin parameters can best be described in terms of some intrinsic parameters which follow a parabolic dependence on the ligand distances in addition to the conventional power-law form, and hence also assert the cancelling nature of various physical mechanisms contributing to the ground state splitting of Gd³⁺. Copyright © 1992 IOP Publishing Ltd.
Original language | English |
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Pages (from-to) | 9741-9750 |
Journal | Journal of Physics: Condensed Matter |
Volume | 4 |
Issue number | 48 |
DOIs | |
Publication status | Published - 1992 |