| NaCl:Cu2+的混合基态EPR g因子的研究 |
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| 引用本文： | 李福珍,李兆民. NaCl:Cu2+的混合基态EPR g因子的研究[J]. 四川师范大学学报(自然科学版), 2002, 25(6): 620-623 |
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| 作者姓名： | 李福珍 李兆民 |
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| 作者单位： | 四川师范大学物理系,四川成都,610066;四川师范大学科研处,四川成都,610066 |
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| 基金项目： | 四川省教育厅重点科研基金资助项目 |
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| 摘 要： | 考虑到NaCl:Cu2 晶体中 ,络离子 (CuCl6 ) 4- 的局域结构为沿〈0 0 1〉晶轴方向的具有微弱斜方畸变的伸长四角对称 ,引进了 2 A1g态混合进基态 2 B1g 的机制 ,用双自旋 轨道耦合模型和半经验分子轨道法研究了NaCl:Cu2 的EPRg因子 ,获得了理论诠释合理以及计算结果与实验值符合好的满意结果 .
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| 关 键 词： | NaCl:Cu2+ 双自旋-轨道耦合模型 EPR g因子 |
| 文章编号： | 1001-8395(2002)06-0620-03 |
| 修稿时间： | 2002-06-10 |
Theoretical Investigation for the EPR g-factors of the Mixed Ground State in NaCl:Cu2+ Crystals |
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| LI Fu-zhen,LI Zhao-min. Theoretical Investigation for the EPR g-factors of the Mixed Ground State in NaCl:Cu2+ Crystals[J]. Journal of Sichuan Normal University(Natural Science), 2002, 25(6): 620-623 |
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| Authors: | LI Fu-zhen LI Zhao-min |
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| Affiliation: | LI Fu-zhen1,LI Zhao-min2 |
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| Abstract: | In this paper, it is considered that the local structure of the (CuCl 6) 4- cluster for the NaCl:Cu 2 crystal is of the axially elogational D 4h symmetry which possesses the weaker rhombic distortion at <001> lattice site. The mechanism for an admixture of the 2A 1g into ground state 2B 1g is introduced. The EPR g-factors for NaCl:Cu 2 are studied by using the double spin-orbit coupling model and an approximation of a semiempirical molecular orbit. Thus, the EPR g-factors for the NaCl:Cu 2 crystals are reasonably explaned as well as the good agreement between the calculated values and the experimental data is obtained. |
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| Keywords: | Double spin-orbit coupling model NaCl:Cu 2 EPR g-factor |
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