Theoretical Study Of Energy Spectra And G Factors Of Cr～(3+) Doped KAl(MoO₄)₂ Crystal And YAl₃(BO₃)₄ Crystal

With the strong-field scheme and trigonal bases, by diagonalizing the complete d^? energy matrix in a trigonally distorted octahedral field, the energy spectra and wavefunctions of KAl(MoO₄)₂:Cr³⁺ and YAl₃(BO₃)₄:Cr³⁺are calculated. By using the wavefunctions obtained from diagonalizing the complete energy matrix, the g factors of the ground state of KAl(MoO₄)₂:Cr³⁺ and YAl₃(BO₃)₄:Cr³⁺ are evaluated. The calculated results are in good agreement with the optical-spectral and EPR experimental data. The rates of change of levels with respect to various parameters and the contributions to levels from various parameters are calculated, and the physical origins of various levels or splittings have been clearly and quantitatively shown.