节点文献

Ca₃NbGa₃Si₂O₁₄（CNGS）晶体的拉曼光谱分析

Raman Scattering Spectra of Ca₃NbGa₃Si₂O₁4 （CNGS） Crystals

推荐 CAJ下载
PDF下载
不支持迅雷等下载工具，请取消加速工具后下载。

【Author】 LAN Jian-hui~1, LU Gui-wu~ 1* , WANG Zeng-mei~2, YUAN Duo-rong~3, XIA Hai-rui~3 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

【机构】中国石油大学(华东)物理科学与技术学院；中国海洋大学材料科学与工程研究院；山东大学晶体材料国家重点实验室；山东大学晶体材料国家重点实验室山东东营257061；山东东营257061；山东青岛266003；山东济南250100；

【摘要】为了研究CNGS晶体的结构,构造了Ca3NbGa2Si O12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。更多还原

【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 Ca₃NbGa₂SiO12 and Ca₃NbGaSi₂O12 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.更多还原