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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Theoretical studies on the optical spectra and EPR parameters for trigonal Yb3+ center in CsCdBr3 crystal
Hui-Ning Dong1, Shao-Yi Wu, Xiao-Bing Luo
1Institute of Applied Physics and College of Electronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing 400065, PR China. donghn@cqupt.edu.cn
Abstract:
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.
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