Crystal Field Parameters and Energy Levels Calculations for Fe3+:ZnGa2O4

In this paper, we present a theoretical study of the energy levels structure for the zinc gallate normal spinel, ZnGa2O4, doped with Fe3+(3d5 configuration) ions. The calculations have been performed in the framework of the exchange charge model (ECM) of the crystal field. After calculating the CFPs, based on the geometrical structure of the host matrix, the crystal field Hamiltonian was diagonalized in the space spanned by the wave functions of all 16 LS terms of the 3d5 electron configurations. The Racah parameters B, C and G parameter of the exchange charge model have been estimated. The results of the theoretical calculations are in satisfactory agreement with the experimental data.