| Co2+离子在MgF2和ZnF2晶体中的各向异性g因子的理论研究 |
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| 引用本文： | 董会宁,邬劭轶,郑文琛.Co2+离子在MgF2和ZnF2晶体中的各向异性g因子的理论研究[J].波谱学杂志,2002,19(3):275-280. |
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| 作者姓名： | 董会宁 邬劭轶 郑文琛 |
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| 作者单位： | 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 |
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| 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gx，gy和gz. 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.
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| 关 键 词： | 电子顺磁共振（EPR） 晶体场和配位场 Co2+离子 MgF2 ZnF2 |
| 文章编号： | 1000-4556(2002)03-0275-06 |
| 收稿时间： | 2002-02-25 |
| 修稿时间： | 2002年2月25日 |
THEORETICAL EXPLANATION OF THE ANISOTROPIC g FACTORS OF Co2+ ION IN RHOMBIC MgF2 AND ZnF2 CRYSTALS |
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| DONG Hui ning\\{,\},WU Shao yi\\{,\},ZHENG Wen chen\\{,\}.THEORETICAL EXPLANATION OF THE ANISOTROPIC g FACTORS OF Co2+ ION IN RHOMBIC MgF2 AND ZnF2 CRYSTALS[J].Chinese Journal of Magnetic Resonance,2002,19(3):275-280. |
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| Authors: | DONG Hui ning\\{ \} WU Shao yi\\{ \} ZHENG Wen chen\\{ \} |
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| Institution: | 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 |
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| Abstract: | The perturbation formulas based on a cluster approach are presented in this paper for the calculation of anisotropic g factors g\-x, g\-y and g\-z for 3 d \+7(Co\+\{2+\}) ion in rhombic octahedral site. In these formulas, the contributions from covalency effects, configuration interaction and rhombic crystal field are considered and the parameters related to the three contributions can be determined from the optical spectra and the structural data of the studied crystals. From these formulas, the EPR parameters g\-x, g\-y and g\-z for Co\+\{2+\} in rhombic MgF\-2 and ZnF\-2 crystals are calculated. The results are in agreement with the experimental values. |
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| Keywords: | EPR crystal and ligand field theory Co\+\{2+\} MgF\-2 ZnF\-2 |
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