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Studies on EPR Parameters and Local Structures for the Rhombic Cu2+ Center in the ZnGeO4 · 6H2O Crystal

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Abstract

The electron paramagnetic resonance (EPR) parameters (g factors and hyperfine structure constants) and local structures for the impurity Cu2+ center in ZnGeO4 · 6H2O crystal are theoretically studied using the perturbation formulas of these parameters for a 3d9 ion in rhombically elongated octahedra. These formulas are based on a two-spin-orbit-parameter model in which the contributions to the EPR parameters due to both the spin-orbit parameter of the central 3dn ion and that of ligand ion are included. Based on the calculation, the relative axial elongation ratio ρ (≈7.3%) along z-axis and the relative planar bond length variation τ (≈4.3%) along x- and y-axes are found for [Cu(H2O)6]2+ cluster in ZnGeO4 · 6H2O crystal. The above local rhombic distortions of the Jahn–Teller nature around Cu2+ can suitably account for the axial and perpendicular anisotropies of the observed EPR parameters.

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ACKNOWLEDGMENTS

This work was financially supported by Chinese Natural Science Foundation (grant no. 11304145).

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Authors and Affiliations

  1. Jiangxi Engineering Laboratory for Optoelectronics Testing Technology, Nanchang Hangkong University, 330063, Nanchang, P. R. China

    Hua-Ming Zhang

  2. Key Laboratory of Nondestructive Testing, Ministry of Education, Nanchang Hangkong University, 330063, Nanchang, P. R. China

    Hua-Ming Zhang

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  1. Hua-Ming Zhang
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Hua-Ming Zhang Studies on EPR Parameters and Local Structures for the Rhombic Cu2+ Center in the ZnGeO4 · 6H2O Crystal. Russ. J. Phys. Chem. 92, 2733–2738 (2018). https://doi.org/10.1134/S0036024418130137

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