Spin-Hamiltonian Parameters For Cr_Li ³⁺ Doped In LiNbO₃

Abstract

Keywordsfrom the higher-order perturbation formulas. The method used is based on the two-spin-orbit coupling parameter model, in a cluster approach. The g parameters were also calculated as a second derivative of the energy, method implemented into ORCA computer program. The results were discussed and good agreement with experimental data was demonstrated.