Theoretical explanation of electron paramagnetic resonance and optical parameters for Cu2+ ion in LiNbO3 crystal

The EPR parameters, anisotropic g-factors g _x , g _y and g _z for cu²⁺ ion and hyperfine structure constants A _x , A _y and A _z for Cu²⁺ in LiNbO₃ crystal are calculated by the method of diagonalizing the full Hamiltonian matrix. The crystal-field parameters contact with the crystal structure by the aid of the superposition model. The optical transition parameters are calculated using Zhao crystal-field model. The calculated results are in good agreement with the observed values. The results are discussed.