波谱学杂志

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Co2+离子在MgF2和ZnF2晶体中的各向异性g因子的理论研究

董会宁1,2,  邬劭轶2,3,  郑文琛2,3   

  1. 1.四川师范大学固体物理研究所,四川成都 610066;2.四川大学材料科学系,四川成 都 610064;3.中国科学院国际材料物理中心, 辽宁沈阳 110016
  • 收稿日期:2002-02-25 修回日期:2002-04-28 出版日期:2002-09-05 发布日期:2002-09-05
  • 作者简介:董会宁(1969-),男,四川宝兴人,四川大学博士生,副教授,从事材料物理与固体波谱学的研究.

THEORETICAL EXPLANATION OF THE ANISOTROPIC FACTORS OF Co2+ ION IN RHOMBIC MgF2 AND ZnF2 CRYSTALS

DONG Hui-ning1,2, WU Shao-yi2,3, ZHENG Wen-chen2,3
  

  1. 1.Institute of Solid State Physics, Sichuan Normal University, Chengdu 610066, China;
    2.Department of Material Science, Sichuan University, Chengdu 610064, China;
    3.International Centre for Materials Physics, The Chinese Academy of Sciences, S henyang 110016, China
  • Received:2002-02-25 Revised:2002-04-28 Online:2002-09-05 Published:2002-09-05

摘要:

利用基于基团模型的3d7离子在斜方对称中的高阶微扰公式计算了MgF2和ZnF2晶体中Co2+杂质中心的各向异性g因子gxgygz. 在计算中,考虑了共价效应, 组态相互作用和斜方晶体场的贡献;而且与此相关的参量可由所研究的晶体的光谱和结构数据得到.  计算结果与实验符合较好.

关键词: 电子顺磁共振(EPR), 晶体场和配位场, Co2+离子, MgF2, ZnF2

Abstract:

The perturbation formulas based on a cluster approach are presented in this pa per for the calculation of anisotropic g factors gx, gy and gz for 3d7Co2+ ion in rhombic octahedral site. In these formulas, the contributions from covalenc y effects, configuration interaction and rhombic crystal field are considered an d the parameters related to the three contributions can be determined from the o ptical spectra and the structural data of the studied crystals. From these formu las, the EPR parameters gx, gy and gz for Co2+ in rhombic MgF2 and  ZnF2 crystals are calculated. The results are in agreement with the   experimental values.

Key words: EPR, crystal- and ligand-field theory, Co2+, MgF2, ZnF2

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