Role of the metal cation types around VO4 groups on the nonlinear optical behavior of materials: experimental and theoretical analysis
Su, X (Su, Xin); Yang, ZH (Yang, Zhihua); Han, GP (Han, Guopeng); Wang, Y (Wang, Ying); Wen, M (Wen, Ming); Pan, SL (Pan, Shilie); Yang, ZH
2016
发表期刊DALTON TRANSACTIONS
卷号45期号:36页码:14394-14402
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.
DOI10.1039/c6dt02317g
收录类别SCI
WOS记录号WOS:000384237300045
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被引频次:3[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4693
专题中国科学院特殊环境功能材料与器件重点试验室
通讯作者Yang, ZH
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
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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 .,...&Yang, ZH.(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.
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