Abstract
The relaxation of the crystal lattices in the cubic and tetragonal Sm3+ centers in CaF2 has been calculated using the shell model. The ionic coordinates obtained with allowance for the relaxation have been used to calculate the crystal field and electronic structure of the centers.
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Original Russian Text © V.A. Chernyshev, A.E. Nikiforov, G.S. Slepukhin, 2012, published in Fizika Tverdogo Tela, 2012, Vol. 54, No. 7, pp. 1361–1365.
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Chernyshev, V.A., Nikiforov, A.E. & Slepukhin, G.S. Electronic structure of impurity Sm3+ centers in fluorite. Phys. Solid State 54, 1445–1450 (2012). https://doi.org/10.1134/S106378341207013X
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DOI: https://doi.org/10.1134/S106378341207013X