Theoretical research of the optical spectra and EPR parameters for Cs _2NaYCl_6:Dy~(3+) crystal

摘要

The calculated EPR parameters are in reasonable agreement with the observed values. The important material Cs_2NaYCl_6 doped with rare earth ions have received much attention because of its excellent optical and magnetic properties. Based on the superposition model, in this paper the crystal field energy levels, the electron paramagnetic resonance parameters g factors of Dy3+ and hyperfine structure constants of ~(161)Dy ~(3+) and ~(163)Dy~(3+) isotopes in Cs _2NaYCl_6 crystal are studied by diagonalizing the 42 × 42 energy matrix. In the calculations, the contributions of various admixtures and interactions such as the J-mixing, the mixtures among the states with the same J-value, and the covalence are all considered. The calculated results are in reasonable agreement with the observed values. The results are discussed.