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


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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.

作者简介

Hua-Ming Zhang

Jiangxi Engineering Laboratory for Optoelectronics Testing Technology,
Nanchang Hangkong University; Key Laboratory of Nondestructive Testing, Ministry of Education,
Nanchang Hangkong University

编辑信件的主要联系方式.
Email: huamingzhang66@163.com
中国, Nanchang, 330063; Nanchang, 330063

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