Studies on EPR Parameters and Local Structures for the Rhombic Cu2+ Center in the ZnGeO4 · 6H2O Crystal
- Autores: Hua-Ming Zhang 1,2
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Afiliações:
- Jiangxi Engineering Laboratory for Optoelectronics Testing Technology, Nanchang Hangkong University
- Key Laboratory of Nondestructive Testing, Ministry of Education, Nanchang Hangkong University
- Edição: Volume 92, Nº 13 (2018)
- Páginas: 2733-2738
- Seção: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/170291
- DOI: https://doi.org/10.1134/S0036024418130137
- ID: 170291
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Resumo
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.
Sobre autores
Hua-Ming Zhang
Jiangxi Engineering Laboratory for Optoelectronics Testing Technology,Nanchang Hangkong University; Key Laboratory of Nondestructive Testing, Ministry of Education,
Nanchang Hangkong University
Autor responsável pela correspondência
Email: huamingzhang66@163.com
República Popular da China, Nanchang, 330063; Nanchang, 330063