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J4 ›› 2012, Vol. 47 ›› Issue (7): 26-29.

• 化学与环境 • 上一篇    下一篇

Cu0.5Zr2(PO4)3中Cu2+离子中心各向异性g因子研究

魏望和,侯春菊,卢敏,刘维清   

  1. 江西理工大学理学院, 江西 赣州 341000
  • 收稿日期:2011-10-23 出版日期:2012-07-20 发布日期:2012-09-01
  • 作者简介:作者简介:魏望和(1978- ),男,硕士,讲师,主要从事晶体中过渡离子光谱和EPR谱的理论研究. Email:weiwanghe@126.com

Theoretical explanation of the anisotropic g factors for Cu2+ center in Cu0.5Zr2(PO4)3crystal

WEI Wang-he, HOU Chun-ju, LU Min, LIU Wei-qing   

  1. Faculty of Science, Jiangxi University of Science and Technology, Ganzhou 341000, Jiangxi, China
  • Received:2011-10-23 Online:2012-07-20 Published:2012-09-01
  • Supported by:

    江西省教育厅青年科学基金资助项目(gjj11129)

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摘要：

采用3d9离子斜方对称g因子的高阶微扰公式计算了Nasico型晶体Cu0.5Zr2(PO4)3中Cu2+离子中心各向异性g因子(gx, gy, gz),其中斜方晶场参量由重叠模型并联系晶体中Cu2+离子所处的局部结构确定。研究表明,晶体中Cu2+离子中心配体八面体平面键角相比理想斜方对称的90°要小10°左右,由此所得的因子计算结果与实验符合较好。

关键词: 电子顺磁共振(EPR);重叠模型;Cu2+离子;Cu0.5Zr2(PO4)3晶体

Abstract:

The anisotropic g factors (gx, gy, gz) for the rhombic Cu2+ center in Nasico type Cu0.5Zr2(PO4)3were theoretically investigated by using the high-order formulas of these parameters for a 3d9 ion in rhombically elongated octahedral. The rhombic field parameters in these formulas were determined from the superposition model and the local geometry for Cu2+ center. The result shows that the planar bond angle is about 10°  smaller  than the ideal 90°  in orthorhombic D2h symmetry for Cu2+ center in crystal and the theoretical g factors based on the above angular are in good agreement with the experimental data.

Key words: electron paramagnetic resonance; superposition model; Cu2+ ion; Cu0.5Zr2(PO4)3crystal

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