Abstract
The aim of this work is to present a crystal field analysis of the [CaF8]6− complex in the static crystal field and vibronic interactions in the dynamic crystal field. The modeling of the crystal field parameters and simulated energy level scheme is presented in the exchange charge model. In this model, the crystal field strength 10 Dq for different impurity–ligand distances near the equilibrium position was obtained. By fitting these values to an exponential law, we found n=7.278, as the exponent power, for the 10 Dq dependence (10 Dq≈R−n). The electron–phonon interaction of the bivalent manganese ion doped in CaF2 was studied using the single configuration coordination model. Some physical quantities associated with the normal vibration modes a1g and eg of the [CaF8]6− complex coupled with the electron states of Mn2+ such as the Stokes shift and the Huang–Rhys factors are calculated. The obtained results are discussed and compared with experimental data.
Published Version
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