期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 134, 期 4, 页码 1993-1995出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja2109008
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资金
- National Natural Science Foundation of China [90922021, 21171168, 90922022]
- Chinese Academy of Sciences [KJCX2-YW-H20]
- NSF of Fujian Province [2011J05039]
A new chiral sulfide family, Ln(4)InSbS(9) (Ln = La, Pr, Nd), with its own structure type in space group P4(1)2(1)2 or its enantiomorph P4(3)2(1)2 has been synthesized by solid-state reaction. Remarkably, the La member shows the strongest Kleinman-forbidden second harmonic generation to date, with an intensity 1.5 times that of commercial AgGaS2 at a laser wavelength of 2.05 mu m, and exhibits type-I phase-matchable behavior. Density functional theory calculations and ab initio molecular dynamics simulations suggest that lattice vibrations may be responsible for the origin and magnitude of the strong SHG effect.
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