Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 58, Issue 7, Pages 2098-2102Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201813968
Keywords
aliovalent substitution; hydrothermal synthesis; nonlinear optical materials; theoretical studies
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Funding
- National Natural Science Foundation of China [21875248, 91622112, 21701173, 21773244]
- Strategic Priority Research Program of the Chinese Academy of Sciences [XDB20000000]
- 100 Talents Project of Fujian Province
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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.
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