A Facile Route to Nonlinear Optical Materials: Three-Site Aliovalent Substitution Involving One Cation and Two Anions

被引:121
作者
Chen, Jin [1 ,2 ]
Hu, Chun-Li [1 ]
Mao, Fei-Fei [1 ]
Feng, Jiang-He [1 ]
Mao, Jiang-Gao [1 ]
机构
[1] Chinese Acad Sci, State Key Lab Struct Chem, Fujian Inst Res Struct Matter, Fuzhou 350002, Fujian, Peoples R China
[2] Univ Chinese Acad Sci, Beijing 100039, Peoples R China
基金
中国国家自然科学基金;
关键词
aliovalent substitution; hydrothermal synthesis; nonlinear optical materials; theoretical studies; 2ND-HARMONIC GENERATION; POLAR MATERIAL; LONE-PAIRS; TE-IV; IODATE; FRAMEWORK; COORDINATION; DESIGN; SERIES; RB;
D O I
10.1002/anie.201813968
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Two mixed-metal gallium iodate fluorides, namely, - and -Ba-2[GaF4(IO3)(2)](IO3) (1 and 2), have been designed by the aliovalent substitutions of - and -Ba-2[VO2F2(IO3)(2)](IO3) (3 and 4) involving one cationic and two anionic sites. Both 1 and 2 display large second-harmonic generation responses (approximate to 6xKH(2)PO(4) (KDP)), large energy band gaps (4.61 and 4.35eV), wide transmittance ranges (approximate to 0.27-12.5m), and high relevant laser-induced damage thresholds (29.7x and 28.3xAgGaS(2), respectively), which indicates that 1 and 2 are potential second-order nonlinear optical materials in the ultraviolet to mid-infrared. Our studies propose that three-site aliovalent substitution is a facile route for the discovery of good NLO materials.
引用
收藏
页码:2098 / 2102
页数:5
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