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| ZPPH晶体中掺杂VO2+的吸收光谱与EPR参量的理论研究 | |
| 引用本文： | 王利娟,蔡达锋,吴英.ZPPH晶体中掺杂VO2+的吸收光谱与EPR参量的理论研究[J].人工晶体学报,2009,38(5). |
| 作者姓名： | 王利娟 蔡达锋 吴英 |
| 作者单位： | 1. 内江师范学院物理与电子信息工程系,内江,641112;西南民族大学电气信息工程学院,成都,610041 2. 内江师范学院物理与电子信息工程系,内江,641112 3. 绵阳师范学院物理与电子信息工程系,绵阳,621000 |
| 基金项目： | 四川省教育厅科研项目(No.07ZA045) |
| 摘 要： | 本文基于晶体场理论,建立了10×10阶的3d1离子的全组态能级矩阵,由全对角化法(CDM)计算了ZPPH(ZnKPO4.6H2O)∶VO2+晶体的吸收光谱与顺磁g因子;同时,运用3d1离子在C4v对称下的能级公式和电子顺磁共振(EPR)参量高阶微扰(PTM)公式,计算了ZPPH∶VO2+晶体的光学吸收谱和EPR参量g因子g//,g⊥和超精细结构常数A//,A⊥,所得理论结果与实验符合。两种理论方法对比研究表明:对3d1(V4+)电子组态,微扰法所得结果是全对角化法所得结果的一种很好近似。对所得结果的合理性进行了讨论。 |
| 关 键 词： | 晶体场理论 吸收光谱 电子顺磁共振参量 ZPPH∶VO2+晶体 |
Theoretical Studies on Absorption Spectra and EPR Parameters of ZPPH: VO2+ Crystal |
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| WANG Li-juan,CAI Da-feng,WU Ying.Theoretical Studies on Absorption Spectra and EPR Parameters of ZPPH: VO2+ Crystal[J].Journal of Synthetic Crystals,2009,38(5). | |
| Authors: | WANG Li-juan CAI Da-feng WU Ying |
| Institution: | 1.School of Physics and Electronic Information Engineering;Neijiang Normal College;Neijiang 641112;China;2.School of Electrical Information Engineering;Southwest Nationalities University;Chengdu 610041;3.Physics and Electronic Information Department;Mianyang Normal University;Mianyang 621000;China |
| Abstract: | On the basis of the crystal-field theory, the 10×10 orders energy matrix for 3d~1 electronic configerations were established. The optical absorption spectra and paramagnetic g-factor of ZPPH (ZnKPO_4·6H_2O)∶VO_2 have been obtained by the complete diagonalizing (the energy) matrix method (CDM). At the same time, the optical absorption spectra and electron paramagnetic resonance parameters for VO~(2+) doped in ZPPH crystal in tetragonal (C_(4v)) symmetry are theoretically investigated by the perturbation-theory method (PTM). The calculated values (optical absorption spectra, g-factors g_(//),g_⊥ and hyperfine structure constants A_(//),A_⊥) showed good agreement with the experimental data. Comparing the PTM with the CDM, the PTM is a good approximation for the CDM. The reasonableness of these results were discussed. |
| Keywords: | crystal-field theory absorption spectra electron paramagnetic resonance parameters ZPPH∶VO~(2+) crystal |
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