| 用光谱和零场分裂确定晶体K2ZnF4:Ni2+的局部结构参数 |
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| 引用本文： | 陈太红,余飞,曾体贤. 用光谱和零场分裂确定晶体K2ZnF4:Ni2+的局部结构参数[J]. 四川师范大学学报(自然科学版), 2005, 28(5): 573-577 |
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| 作者姓名： | 陈太红 余飞 曾体贤 |
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| 作者单位： | 西华师范大学,物理与电子信息学院,四川,南充,637002;西华师范大学,物理与电子信息学院,四川,南充,637002;西华师范大学,物理与电子信息学院,四川,南充,637002 |
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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： | 采用半自洽场(semi-SCF)d-轨道模型和点电荷-偶极子模型,利用完全对角化方法,由K2ZnF4:Ni2 的d-d跃迁光谱和零场分裂D,确定了晶体K2ZnF4:Ni2 在常温(290 K)和低温(4.2 K)下的局部结构参数,并预测了顺磁g因子的大小.建立了局部结构参数与光谱、零场分裂之间的定量关系,并统一解释了K2ZnF4:Ni2 晶体的光谱和零场分裂的实验值,所得理论结果与实验值符合得很好.
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| 关 键 词： | 晶体场和配位场 局部结构参数 光谱 零场分裂 g因子 |
| 文章编号： | 1001-8395（2005）05-0573-05 |
| 收稿时间： | 2004-10-19 |
| 修稿时间： | 2004-10-19 |
Determination of the Local Structural Parameters for K2ZnF4:Ni2+ Crystal by Optical Spectra and Zero-field Splitting |
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| CHEN Tai-hong,YU Fei,ZENG Ti-xian. Determination of the Local Structural Parameters for K2ZnF4:Ni2+ Crystal by Optical Spectra and Zero-field Splitting[J]. Journal of Sichuan Normal University(Natural Science), 2005, 28(5): 573-577 |
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| Authors: | CHEN Tai-hong YU Fei ZENG Ti-xian |
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| Abstract: | According to the complete diagonalization procedure(CDP), the semi-SCF d-orbit model and the point charge-dipole model proposed by Zhao, the local structural parameter, and the EPR g-factor of K_2ZnF_4:Ni~(2 ) at room temperature (290 K) and low temperature (4.2 K) are determined by the d-d transition optical spectra and zero-field splitting(ZFS) D-value. The paramagnetic g-factor is pretested. At the same time, the relationship between the optical spectra, ZFS and the local structural parameters is set up. The optical spectra and ZFS of K_2ZnF_4:Ni~(2 ) crystal can be interpreted uniformly. The theoretical results are in good agreement with experimental data. |
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| Keywords: | Crystal field and ligand field Local structural parameter Optical spectra ZFS g-factor |
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