| K_2PdX_4:Cu~(2+)超超精细参量研究 |
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| 引用本文： | 邬劭轶,姚劲松,鲁广铎,张志红. K_2PdX_4:Cu~(2+)超超精细参量研究[J]. 电子科技大学学报(社会科学版), 2008, 0(5) |
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| 作者姓名： | 邬劭轶 姚劲松 鲁广铎 张志红 |
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| 作者单位： | 电子科技大学物理电子学院; |
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| 摘 要： | 利用离子簇模型,建立了四角伸长八面体中3d9体系超超精细参量的微扰公式;在理论上得到了轨道混合系数、未配对自旋密度、平均共价因子等参量的关系,并应用于K2PdX4(X=Cl,Br)中的四角[CuX4]2?中心,理论与实验比较符合。与文献[4]相比,该文在计算公式上有所简化,并且调节参量数目进一步地减少,因而具有较好的适用性。
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| 关 键 词： | 晶体场理论 自旋哈密顿参量 配体超超精细结构参量 Cu2+ |
On the Superhyperfine Parameters of K_2PdX_4:Cu~(2+) |
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| WU Shao-yi,YAO Jin-song,LU Guang-duo,, ZHANG Zhi-hong. On the Superhyperfine Parameters of K_2PdX_4:Cu~(2+)[J]. Journal of University of Electronic Science and Technology of China(Social Sciences Edition), 2008, 0(5) |
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| Authors: | WU Shao-yi YAO Jin-song LU Guang-duo ZHANG Zhi-hong |
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| Affiliation: | WU Shao-yi,YAO Jin-song,LU Guang-duo,, ZHANG Zhi-hong (School of Physical Electronics,University of Electronic Science , Technology of China Chengdu 610054 ) |
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| Abstract: | The simplified perturbation formulas of the superhyperfine parameters for a 3d9 ion in tetragonally elongated octahedra are established from the crystal-field model and the cluster approach. In these expressions,the relationships are obtained for the orbital mixing coefficients,unpaired spin densities,and average covalence factor. The simplified formulas are applied to the Cu2+ centers in K2PdX4(X=Cl,Br). The calculated results show the agreement with the experimental data and the theoretical values based o... |
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| Keywords: | crystal-field theory spin Hamiltonian parameters ligand superhyperfine structure parameters Cu2+ |
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