Crystal structure of mixed fluorites Ca(1-x)Sr(x)F(2) and Sr(1-x)Ba(x)F(2) and luminescence of Eu(2+) in the crystals
A. E. Nikiforov, A. Yu. Zaharov, V. A. Chernyshev, M. Yu. Ougrumov, S. V. Kotomanov
Abstract
Within the framework of the virtual crystal method implemented in the shell model and pair potential approximation the crystal structure of mixed fluorites Ca(1-x)Sr(x)F(2) and Sr(1-x)Ba(x)F(2) has been calculated. The impurity center Eu(2+) and the distance Eu(2+)-F in this crystals have been also calculated. The low level position of excited 4f65d configuration of the Eu(2+) ion has been expressed using phenomenological dependence on distance E(2+)-F. The dependences of Stokes shift and Huang-Rhys factor on concentration x have been received for yellow luminescence in Sr(1-x)Ba(x)F(2):Eu(2+). The value x, for which the eg -level of Eu(2+) ion will be in conduction band in Sr(1-x)Ba(x)F(2):Eu(2+) has been calculated.
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