| Structural analysis and crystal-field calculations of Nd^3＋ in Gdx Lu1-x TaO4（x = 0.85） polycrytalline |
| |
| 引用本文： | 高进云,张庆礼,杨华军,周鹏宇,孙敦陆,殷绍唐,何晔.Structural analysis and crystal-field calculations of Nd^3＋ in Gdx Lu1-x TaO4（x = 0.85） polycrytalline[J].中国物理 B,2012,21(10):106103-106103. |
| |
| 作者姓名： | 高进云 张庆礼 杨华军 周鹏宇 孙敦陆 殷绍唐 何晔 |
| |
| 作者单位： | [1]Anhui Provincial Key Laboratory of Photonic Devices and Materials, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China [2]Graduate School of the Chinese Academy of Sciences, Beijing 100049, China [3]China Electronics Technology Group Corporation, No. 26 Research Institute, Chongqing 400060, China |
| |
| 基金项目： | Project supported by the National Natural Science Foundation of China （Grant Nos. 90922003,51172236,and 50872135）; the Knowledge Innovation Program of the Chinese Academy of Sciences （Grant No. YYYJ-1002） |
| |
| 摘 要： | The crystal structural parameters of Nd 3+-doped rare earth orthotantalate Gd x Lu 1 x TaO 4(x = 0.85) are determined by applying the Rietveld refinement to its X-ray diffraction,and its emission and excitation spectra at 77 K are analysed.The relativistic model of ab initio self-consistent DV-Xα method,which is applied to the cluster NdO 8 in Gd x Lu 1 x TaO 4,and the effective Hamiltonian model are used to investigate its spin-orbit and crystal-field parameters.The free-ions and crystal-field parameters are fitted to the experimental energy levels at 77 K with a root-mean-square deviation of 14.92 cm 1.According to the crystal-field calculations,96 levels of Nd 3+ are assigned.Finally,the fitting results of free-ions and crystal-field parameters are compared with those already reported for Nd 3+:YAlO 3.The results indicate that the free-ion parameters are similar to those of the Nd3+ in Gdx Lu1-x TaO4 and YAlO 3 hosts,and the crystal-field interaction of Nd3+ in Gdx Lu1-x TaO4 is stronger than that in YAlO 3.
|
| 关 键 词： | rare earth orthotantalate crystal structure optical properties DV-Xα method crystalfield calculations |
| 收稿时间： | 2012-02-17 |
Structural analysis and crystal-field calculations of Nd3+ in GdxLu1-xTaO4 (x=0.85) polycrytalline |
| |
| Gao Jin-Yun,Zhang Qing-Li,Yang Hua-Jun,Zhou Peng-Yu,Sun Dun-Lu,Yin Shao-Tang,He Ye.Structural analysis and crystal-field calculations of Nd3+ in GdxLu1-xTaO4 (x=0.85) polycrytalline[J].Chinese Physics B,2012,21(10):106103-106103. |
| |
| Authors: | Gao Jin-Yun Zhang Qing-Li Yang Hua-Jun Zhou Peng-Yu Sun Dun-Lu Yin Shao-Tang He Ye |
| |
| Institution: | a Anhui Provincial Key Laboratory of Photonic Devices and Materials, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China;b Graduate School of the Chinese Academy of Sciences, Beijing 100049, China;c China Electronics Technology Group Corporation, No. 26 Research Institute, Chongqing 400060, China |
| |
| Abstract: | The crystal structural parameters of Nd3+-doped rare earth orthotantalate GdxLu1-xTaO4 (x=0.85) are determined by applying the Rietveld refinement to its X-ray diffraction, and its emission and excitation spectra at 77 K are analysed. The relativistic model of ab-initio self-consistent DV-Xα method, which is applied to the cluster NdO8 in GdxLu1-xTaO4, and the effective Hamiltonian model are used to investigate its spin-orbit and crystal-field parameters. The free-ions and crystal-field parameters are fitted to the experimental energy levels at 77 K with a root-mean-square deviation of 14.92 cm-1. According to the crystal-field calculations, 96 levels of Nd3+ are assigned. Finally, the fitting results of free-ions and crystal-field parameters are compared with those already reported for Nd3+:YAlO3. The results indicate that the free-ion parameters are similar to those of the Nd3+ in GdxLu1-xTaO4 and YAlO3 hosts, and the crystal-field interaction of Nd3+ in GdxLu1-xTaO4 is stronger than that in YAlO3. |
| |
| Keywords: | rare earth orthotantalate crystal structure optical properties DV-Xα method crystalfield calculations |
| 本文献已被 CNKI 维普 等数据库收录！ |
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
| 点击此处可从《中国物理 B》下载免费的PDF全文 |
|
