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| LiNbO_3晶体中Nd~(3+)离子的配位场能级计算 | |
| 引用本文： | 王永明,李彩云,范英芳,范红俊.LiNbO_3晶体中Nd~(3+)离子的配位场能级计算[J].分子科学学报,2010,26(5). |
| 作者姓名： | 王永明 李彩云 范英芳 范红俊 |
| 作者单位： | 1. 中国人民武装警察部队学院基础部,河北,廊坊,065000 2. 山西大学分子所,山西,太原,030006 3. 昆明消防指挥学校训练处,云南,昆明,650208 |
| 基金项目： | 山西省自然科学基金资助项目(961003) |
| 摘 要： | 运用双层点电荷配位场模型和点电荷模型计算了C3v对称场中LiNbO3∶Nd3+晶体的52个配位场能级,2种模型计算的均方根偏差分别为49.32和62.75cm-1.双层点电荷模型的拟合结果与实验结果更吻合,计算所得晶体场参数B6m值也明显好于点电荷模型,说明双层点电荷模型能够更好地反映中心离子和配体之间相互作用的真实情况,这对于研究C3v对称场中稀土离子的光谱特性具有非常重要的意义. |
| 关 键 词： | LiNbO3∶Nd3 能级计算 C3v对称场 |
Computation of coordination-field energy levels of Nd~(3+) in LiNbO_3 crystal |
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| WANG Yong-ming,LI Cai-yun,FAN Ying-fang,FAN Hong-jun.Computation of coordination-field energy levels of Nd~(3+) in LiNbO_3 crystal[J].Journal of Molecular Science,2010,26(5). | |
| Authors: | WANG Yong-ming LI Cai-yun FAN Ying-fang FAN Hong-jun |
| Institution: | WANG Yong-ming1,LI Cai-yun,1,FAN Ying-fang2,FAN Hong-jun3(1.Department of Basic Course,the Armed Police Force Academy,Langfang 065000,China,2.Institute of Molecular Science,Shanxi University,Taiyuan 030006,3.Training Department,Kunming Fire School,Kunming 650208,China) |
| Abstract: | On the basis of DSCPCF and PCF model,crystal field energy levels of Nd3+ in LiNbO3 with C3v point group symmetry were calculated.As compared with the experimental values of crystal field energy levels,the root-mean-square standard deviation of 52 energy levels is 49.32 and 62.75 cm-1 rspecially,for two models.The DSCPCF model obtained the better crystal field parameters B6m and crystal field energy levels,this shows that DSCPCF model can reflect the true situation of interaction of central ion and coordinat... |
| Keywords: | LiNbO3:Nd3 computation of energy level C3v symmetry field |
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