Experimental and theoretical study of Pr3+ in CaF2

Publisher Website
Google Scholar
Abstract
Calculations of Pr3+ ion in CaF2 crystal were performed for octahedral symmetry. Tensor operator technique was used to calculate the matrix elements of the crystal field. The crystal field parameters are found to be B = −397 cm−1; B = −799 cm−1. The values of F2, F4, F6, and ζ are found to be 309, 55.4, 6.8, and 716 cm−1, respectively. The r.m.s. deviation for 25 Stark split components is 13 cm−1; if one of the components 1Γ1(3F4) is neglected, the r.m.s. deviation reduces to 10 cm−1. Due to agreement between experimental and theoretical results, it is suggested that the symmetry surrounding the Pr3+ ion in the matrix of CaF2 is octahedral, but the presence of another symmetry is not excluded.