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| Ca3NbGa3Si2O14(CNGS)晶体的拉曼光谱分析 | |
| 引用本文： | 蓝建慧,卢贵武,王增梅,袁多荣,夏海瑞.Ca3NbGa3Si2O14(CNGS)晶体的拉曼光谱分析[J].光谱学与光谱分析,2006,26(5):861-864. |
| 作者姓名： | 蓝建慧 卢贵武 王增梅 袁多荣 夏海瑞 |
| 作者单位： | 1. 中国石油大学(华东)物理科学与技术学院,山东,东营,257061 2. 中国海洋大学材料科学与工程研究院,山东,青岛,266003 3. 山东大学晶体材料国家重点实验室,山东,济南,250100 |
| 基金项目： | 教育部科学技术研究项目 , 石油科技中青年创新项目 |
| 摘 要： | 为了研究CNGS晶体的结构,构造了Ca3NbGa2SiO12和Ca3NbGaSi2O12两个团簇模型,对其构型进行优化并计算了振动频率.利用Raman光谱技术测量了该晶体的Raman光谱,依据理论计算结果对测得的Raman光谱进行了指认,讨论了CNGS晶体的层状结构和压电性能. |
| 关 键 词： | Raman光谱 CNGS晶体 商群 |
| 文章编号： | 1000-0593（2006）05-0861-04 |
| 收稿时间： | 2004-12-23 |
| 修稿时间： | 2005-08-27 |
Raman Scattering Spectra of Ca3NbGa3Si2O14 (CNGS) Crystals |
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| LAN Jian-hui,LU Gui-wu,WANG Zeng-mei,YUAN Duo-rong,XIA Hai-rui.Raman Scattering Spectra of Ca3NbGa3Si2O14 (CNGS) Crystals[J].Spectroscopy and Spectral Analysis,2006,26(5):861-864. | |
| Authors: | LAN Jian-hui LU Gui-wu WANG Zeng-mei YUAN Duo-rong XIA Hai-rui |
| Institution: | 1. College of Physics Science and Technology, China University of Petroleum, Dongying 257061, China;2. Institute of Material Science and Engineering, Ocean University of China, Qingdao 266003, China ;3. National Laboratory of Crystal Material, Shandong University, Jinan 250100, China |
| Abstract: | The CNGS crystal belongs to the trigonal system, the 32 point group and the P321 space group, which is the same as the LGS crystal. Its lattice constants are a=0.808 73 nm and c=0.497 98 nm. The primitive cell of the CNGS crystal contains only one formula unit (23 atoms). The vibration modes were measured with Raman spectroscopy technique, assigned with ab initio molecular orbit calculation method. In order to model the crystal, two clusters Ca_3NbGa_2SiO_ 12 and Ca_3NbGaSi_2O_ 12 were designed, and calculations were carried out on them. Their configurations were optimized, and the vibration frequencies were calculated with UHF method. By investigating the force constants and activities of the assigned Raman spectra, the structure of CNGS crystal was analyzed, and its layer structure and piezoelectric properties were confirmed. It is concluded that CNGS crystals have more excellent anisotropy and piezoelectric properties than LGS crystals. |
| Keywords: | Raman spectra CNGS crystal Factor group |
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