A lattice relaxation model is employed for calculating the local distortions and local hydrostatic strains around Eu²⁺, Gd³⁺ and Tm²⁺, ions at the cubic sites in fluorites. The results turn out to be almost entirely consistent with the existing empirical results based on EPR and ENDOR data. Comparisons are also made with previous calculations in the literature, and certain discrepancies are noted. Copyright © 1988 IOP Publishing Ltd.
Rare earth elements