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The aim of this paper is to investigate, from theoretical point of view, the optical spectra and EPR (g-factors) parameters for Mn4+:LiGa5O8. The optical energy levels scheme has been obtained by the diagonalization of the Hamiltonian of the system, using all 50 wave functions of the LS terms of 3d(3) electron configuration. The crystal field parameters have been obtained in the exchange charge model of crystal field, taking into account the structure of the host matrix and effects of the covalent bond formation between the Mn4+ with O2-. The satisfactory agreement with experimental data is obtained.

Calculation of Optical and Spin-Hamiltonian Parameters for Mn4+Doped in LiGa5O8

Calculation of Optical and Spin-Hamiltonian Parameters for Mn⁴⁺Doped in LiGa₅O₈