Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)center dot H2O
Zhang, FY (Zhang, Fangyuan); Zhang, FF (Zhang, Fangfang); Qun, J (Qun, Jing); Pan, SL (Pan, Shilie); Yang, ZH (Yang, Zhihua); Jia, DZ (Jia, Dianzeng); Zhang, FF
2015
发表期刊PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷号17期号:16页码:10489-10496
摘要

Strontium borate Sr2B5O9(OH)center dot H2O (space group C2, No. 5) has been synthesized in high yields using a facile hydrothermal method. The UV-Vis-NIR diffuse reflectance spectrum shows that it has a wide transparency range extending from UV to NIR with the short-wavelength cut off edge below 190 nm. Second-harmonic generation (SHG) has been measured with a 1064 nm laser using the Kurtz and Perry technique, which shows that Sr2B5O9(OH)center dot H2O is phase matchable and the powder SHG effect is approximately 3 times that of KDP. It also has a high thermal stability up to 500 degrees C which has been identified by TG, DSC and variable-temperature PXRD. These properties make it possible for application as a UV nonlinear optical (NLO) material. Based on the electronic band structure, the optical refractive indices, birefringence, and SHG coefficients of Sr2B5O9(OH)center dot H2O are calculated, which are consistent with experiments. In addition, the electronic structure, SHG-weighted electron density and real-space atom-cutting analyses are performed to elucidate the origin of its NLO properties.

DOI10.1039/c5cp00864f
收录类别SCI
WOS记录号WOS:000352707200021
引用统计
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/5171
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Zhang, FF
作者单位1.Xinjiang Univ, Coll Chem & Chem Engn, Urumqi 830046, Peoples R China
2.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China
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Zhang, FY ,Zhang, FF ,Qun, J ,et al. Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)center dot H2O[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2015,17(16):10489-10496.
APA Zhang, FY .,Zhang, FF .,Qun, J .,Pan, SL .,Yang, ZH .,...&Zhang, FF.(2015).Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)center dot H2O.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,17(16),10489-10496.
MLA Zhang, FY ,et al."Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)center dot H2O".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.16(2015):10489-10496.
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