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

Abstract

The aim of this paper is to investigate, from theoretical point of view, the optical spectra and EPR (g-factors) parameters for Mn 4+ :LiGa 5 O 8 . 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 Mn 4+ with O 2− . The satisfactory agreement with experimental data is obtained.

An investigation of the adiabatic potential surface in single crystals with copper ions

“…For example, metal-oxide LiGa 5 O 8 spinel possesses unique chemical and physical properties and holds great promise for potential applications in nonlinear optics, luminescence, electronics, catalysis and optoelectronics. [14][15][16] Lithium-gallium spinel serves as a matrix for many luminescence studies of transition metal ions.…”