Journal of Physical Chemistry A, Vol.116, No.43, 10574-10588, 2012
Optical Spectra and Energy Levels Analysis of the 4f(N) Ions Doped into Ba2YCl7
Absorption emission and excitation spectra are measured and analyzed to achieve assignments of energy levels for 4f(N) ions in Ba2YCl7:RE3+ (RE = Pr, Nd, Tb, Dy, Ho, Er, and Tm) crystals. The experimental energy levels were analyzed in terms of the usual free-ion parameters and the crystal field (CF) ones, B-kq, in the Wybourne notation. The orthorhombic C-2v symmetry is shown to be a good approximation of the actual triclinic C-1 site symmetry at the metal center. The starting values of the CF parameters B-kq used for fittings for the studied crystals were obtained from superposition model analysis. A good agreement between the calculated and experimental energy levels was obtained with rms deviations in the range from 6.8 cm(-1) (for Ho3+) to 14.1 cm(-1) (for Pr3+). The fitted sets of B-kq parameters are, in general, consistent across the 4f(N) series. This study has enabled, determination and discussion of the trends in variation of the free-ion parameters and CF ones across the 4f(N) series. The CF parameter set and energy level structure obtained for Nd3+ ion in Ba2YCl7 crystal are consistent with those for Nd3+ in structurally related RbY2Cl7 crystal. This systematic analysis of CF parameters is one of only few such studies encompassing nearly whole series of RE3+ ions.