Abstract
The aim of this paper is to model the crystal field parameters and simulate the fine structure of optical energy levels scheme of Co2+:K(Mg,Zn)F3 systems. The crystal field parameters were modeled in the frame of an Exchange Charge Model of the crystal field theory, taking into account the effects of the covalent bond formation between the Co2+ and F− ions. The obtained parameters were used for simulating the fine structure of the system energy levels scheme, by diagonalization of the full Hamiltonian matrix, in the base of 100 wave functions of Co2+ ion. For resolving some discrepancies, the electron–phonon interaction in 4T2g excited state is investigated in the frame of the Ham theory, with the Jahn–Teller stabilization energy calculation. The comparison of the calculated energy levels with experimental data gives a good agreement, which confirms the model and used method.
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