Abstract

We report the first known completely a priori attempt to predict crystal-field splittings and luminescence properties of rare-earth impurity ions in a host crystal. Starting with the reported crystal structure, we calculate crystal-field parameters B_km (from the three-parameter theory) and intensity parameters Ω_λ (from the Judd–Ofelt theory) for the 4fⁿ configurations of the thirteen rare-earth ions Ce³⁺ through Yb³⁺ in cubic lanthanum oxyfluoride. The Stark-splitting schemes of the ⁴F_3/2, ⁴I_9/2, and ⁴L_11/2 levels of Nd³⁺ in LaOF are presented, and possible laser emissions originating from the ⁴F_3/2 level are examined. Multiplet-to-multiplet and line-to-line fluorescence branching ratios are given and compared with those calculated for existing Nd³⁺ lasers. It is predicted that cubic LaOF that is doped with Nd³⁺ may be a promising tunable, efficient laser material in the wavelength region from 850 to 950 nm, corresponding to optical transitions from ⁴F_3/2 to ⁴I_9/2.

© 1981 Optical Society of America

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