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)
2016
Source PublicationDALTON TRANSACTIONS
ISSN1477-9226
Volume45Issue:36Pages:14394-14402
Abstract

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
Indexed BySCI
WOS IDWOS:000384237300045
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/4693
Collection中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
Corresponding AuthorYang, ZH (Yang, Zhihua); Pan, SL (Pan, Shilie)
Affiliation1.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
Recommended Citation
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.
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