Abstract
A computer simulation of lattice distortions around an impurity ion Eu2+ in MeF2 fluorites (Me=Ca, Sr, Ba) is reported. ENDOR data on displacements of F− ions distant from an impurity center were used to determine the parameters of the Eu2+-F− short-range interaction potential. A theoretical study of the effect of hydrostatic pressure on the impurity-center local structure has been made. A comparison with experimental data permits a conclusion that the calculated ligand displacements are reliable. An experimental ENDOR investigation of the ligand hyperfine interaction (LHFI) in MeF2:Gd3+ crystals (Me=Ca, Sr, Pb, Ba) has been performed. The results obtained in the simulation are used to describe the LHFI of impurity ions with the nearest-neighbor fluorine environment. The contributions to LHFI associated with ligand polarization are shown to constitute 10–50% of the experimental LHFI constants. The inclusion of such contributions results in practically linear dependences of the remaining short-range part of the LHFI on distance.
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Fiz. Tverd. Tela (St. Petersburg) 40, 2172–2177 (December 1998)
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Gorlov, A.D., Guseva, V.B., Zakharov, A.Y. et al. Local lattice distortions and ligand hyperfine interactions in Eu2+-and Gd3+-doped fluorites. Phys. Solid State 40, 1969–1974 (1998). https://doi.org/10.1134/1.1130696
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DOI: https://doi.org/10.1134/1.1130696