Theoretical investigation of  EPR spectra and local structure for Cu2+- doped  CdCl2 crystal

Abstract

Abstract:

By using the crystal-field theory and third-order perturbation formula of g factor and the hyperfine structure constants A for the 3d9 electronic configuration in the planar tetragonal crystal-field as well as the quantitative relationship between the local lattice structure for the Cu²⁺:CdCl₂ and the electron paramagnetic resonance (EPR) spectra, the EPR spectra and local lattice structure for the Cu²⁺ in CdCl₂ are reasonably explained. The results are well consistent with experimental findings. From the study, the core polarization constant 0.2827 was obtained. The variety of the bond length of planar tetragon is 0.013nm. Thus, when Cu²⁺ doped in CdCl₂ crystal, due to the static Jahn-Teller effect, the lattice relaxation will lead to the small elongation distortion in the planar tetragon.

Key words: spectroscopy, electron paramagnetic resonance

CLC Number:

O737

WANG Li-Juan, ZHANG Bai-Shan, WU Ying. Theoretical investigation of EPR spectra and local structure for Cu²⁺- doped CdCl₂ crystal[J]. J4, 2010, 27(6): 665-668.

References

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Theoretical investigation of EPR spectra and local structure for Cu²⁺- doped CdCl₂ crystal

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