Calculations for 4f–5d excitation spectra of C4v site-selective F− charge-compensated CaF2:Pr3+ and CaF2:Ce3+

Reported 4f–5d excitation spectra of C4v site-selective F− charge-compensated CaF2:Pr3+ and CaF2:Ce3+ have been fitted using the extended semi-experiential parameterized Hamiltonian. Values of crystal-field parameters of d electron in C4v site are finally determined according to their band locations and intensities. The peaks in the measured spectra are reassigned with new interpretations. Large energy splitting of Eg and T2g bands due to non-cubic potential is found, and the distortion from cubic coordination geometry is semi-quantitatively discussed using the fitting values of crystal-field parameters for the d electron and the superposition model.