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

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.