Chen Jin, Hu Chun-Li, Mao Fei-Fei, Zhang Xiao-Han, Yang Bing-Ping, Mao Jiang-Gao
State Key Laboratory of Structural Chemistry , Fujian Institute of Research on the Structure of Matter , Chinese Academy of Sciences , Fuzhou 350002 , P. R. China . Email:
University of Chinese Academy of Sciences , Beijing 100039 , P. R. China.
Chem Sci. 2019 Oct 15;10(47):10870-10875. doi: 10.1039/c9sc04832d. eCollection 2019 Dec 21.
An excellent second harmonic generation (SHG) material, LiMg(IO) (LMIO), has been elaborately designed from LiM(IO) (M = Ti, Sn, and Ge) by aliovalent substitution of the central M cation followed by Wyckoff position exchange. The new structure sustains the ideal-alignment of (IO) groups. Importantly, LMIO exhibits an extremely strong SHG effect of roughly 24 × KHPO (KDP) under 1064 nm laser radiation or 1.5 × AgGaS (AGS) under 2.05 μm laser radiation, which is larger than that of α-LiIO (18 × KDP). The replacement of M with Mg without d-d electronic transitions induces an obviously larger band gap (4.34 eV) with a short absorption edge (285 nm). This study shows that single-site aliovalent substitution provides a new synthetic route for designing SHG materials.
一种优异的二次谐波产生（SHG）材料，即锂镁碘酸盐（LiMg(IO)，简称LMIO），是通过对LiM(IO)（M = Ti、Sn和Ge）中的中心M阳离子进行异价取代并随后进行Wyckoff位置交换而精心设计出来的。新结构维持了（IO）基团的理想排列。重要的是，LMIO在1064 nm激光辐射下表现出约为24×KHPO（KDP）的极强SHG效应，或者在2.05 μm激光辐射下表现出1.5×AgGaS（AGS）的SHG效应，这比α-LiIO（18×KDP）的效应更大。用Mg取代M且不存在d-d电子跃迁会导致明显更大的带隙（4.34 eV）以及较短的吸收边（285 nm）。这项研究表明，单位点异价取代为设计SHG材料提供了一条新的合成途径。
