Theoretical studies on the optical spectra and EPR parameters for trigonal Yb3+ center in CsCdBr3 crystal

In this paper, the crystal-field energy levels, the EPR g factors g//, g(perpendicular) of Yb3+ and hyperfine structure constants A//, A(perpendicular) of 171Yb3+ and 173Yb3+ isotopes in CsCdBr3 crystal are calculated from the crystal-field theory. The calculated results (seven energy levels and six EPR parameters) are in reasonable agreement with the observed values. In the calculation, we find that Yb3+ ion does not occupy the exact Cd2+ site, but is shifted from the center of bromine octahedron by a distance (Delta)Z approximately 0.184 angstroms along C3 axis. The results are discussed.