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.
Dong
Hui-Ning
HN
Institute of Applied Physics and College of Electronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing 400065, PR China. donghn@cqupt.edu.cn
Wu
Shao-Yi
SY
Luo
Xiao-Bing
XB
Tang
Hong
H
D001966:Bromine / Q000737:chemistry*; D002104:Cadmium / Q000737:chemistry*; D002586:Cesium / Q000737:chemistry*; D018360:Crystallography, X-Ray / Q000379:methods; D004578:Electron Spin Resonance Spectroscopy / Q000379:methods*; D007477:Ions; D007554:Isotopes; D008956:Models, Chemical; D015233:Models, Statistical; D008962:Models, Theoretical; D008968:Molecular Conformation; D015394:Molecular Structure; D015018:Ytterbium / Q000737:chemistry*
D007477:Ions; D007554:Isotopes; D002104:Cadmium; D002586:Cesium; D015018:Ytterbium; D001966:Bromine