Role of the metal cation types around VO4 groups on the nonlinear optical behavior of materials: experimental and theoretical analysis
文献类型：期刊论文
| 作者 | Su, X (Su, Xin); Yang, ZH (Yang, Zhihua) ; Han, GP (Han, Guopeng); Wang, Y (Wang, Ying); Wen, M (Wen, Ming); Pan, SL (Pan, Shilie)
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| 刊名 | DALTON TRANSACTIONS
 |
| 出版日期 | 2016 |
| 卷号 | 45期号:36页码:14394-14402 |
| 通讯作者 | Yang, ZH |
| 英文摘要 | In order to explore new NLO crystals with superior performances, it is greatly desirable to understand the intrinsic relationship between the macroscopic optical properties and microscopic structural features in crystals. A novel mechanism for nonlinear optical (NLO) effects of vanadate crystals, Li3VO4, KCd4(VO4)(3) and Ca-3(VO4)(2) with distorted (VO4)(3)-groups, has been investigated. Experiments related to the synthesis and structures were determined. In addition, infrared and UV-Vis-NIR diffuse reflectance spectroscopy, as well as electronic band structure calculations, were performed on the reported materials. A comprehensive analysis for the structure-property relationship is given by combining the experimental measurements, the electronic structure calculations and the SHG-weighted electron density to the linear and NLO properties. It was found that the contribution of the (VO4)(3)-anionic group to the second harmonic generation (SHG) response was the dominant anionic group, which plays a vital role to the SHG effects in Li3VO4, KCd4(VO4)(3) and Ca-3(VO4)(2). It was also concluded that the metal cation types and coordination around VO4 groups, the distorted and parallel oriented VO4 tetrahedron decided the SHG coefficient values. |
| 收录类别 | SCI |
| WOS记录号 | WOS:000384237300045 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/4693]  |
| 专题 | 新疆理化技术研究所_中国科学院特殊环境功能材料与器件重点试验室 新疆理化技术研究所_材料物理与化学研究室 |
| 作者单位 | 1.Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China 2.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Su, X ,Yang, ZH ,Han, GP ,et al. Role of the metal cation types around VO4 groups on the nonlinear optical behavior of materials: experimental and theoretical analysis[J]. DALTON TRANSACTIONS,2016,45(36):14394-14402. |
| APA | Su, X ,Yang, ZH ,Han, GP ,Wang, Y ,Wen, M ,&Pan, SL .(2016).Role of the metal cation types around VO4 groups on the nonlinear optical behavior of materials: experimental and theoretical analysis.DALTON TRANSACTIONS,45(36),14394-14402. |
| MLA | Su, X ,et al."Role of the metal cation types around VO4 groups on the nonlinear optical behavior of materials: experimental and theoretical analysis".DALTON TRANSACTIONS 45.36(2016):14394-14402. |
入库方式： OAI收割
来源：新疆理化技术研究所
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