Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9
收藏Figshare2016-02-22 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Strong_Kleinman_Forbidden_Second_Harmonic_Generation_in_Chiral_Sulfide_La_sub_4_sub_InSbS_sub_9_sub_/2555383
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A new chiral sulfide family, Ln4InSbS9 (Ln = La, Pr, Nd), with its own structure type in space group P41212 or its enantiomorph P43212 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 μm, 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.
创建时间：
2016-02-22
