LiMg(IO3)3: an excellent SHG material designed by single-site aliovalent substitution

Jin Chen; Chun-Li Hu; Fei-Fei Mao; Xiao-Han Zhang; Bing-Ping Yang; Jiang-Gao Mao

doi:10.1039/c9sc04832d

LiMg(IO₃)₃: an excellent SHG material designed by single-site aliovalent substitution

Chem Sci. 2019 Oct 15;10(47):10870-10875. doi: 10.1039/c9sc04832d. eCollection 2019 Dec 21.

Authors

Jin Chen^{1

2}, Chun-Li Hu¹, Fei-Fei Mao³, Xiao-Han Zhang¹, Bing-Ping Yang¹, Jiang-Gao Mao¹

Affiliations

¹ 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: mjg@fjirsm.ac.cn ; Email: clhu@fjirsm.ac.cn.
² University of Chinese Academy of Sciences , Beijing 100039 , P. R. China.
³ Nanjing Agricultural University , Nanjing 210095 , P. R. China.

Abstract

An excellent second harmonic generation (SHG) material, LiMg(IO₃)₃ (LMIO), has been elaborately designed from Li₂M^IV(IO₃)₆ (M^IV = Ti, Sn, and Ge) by aliovalent substitution of the central M^IV cation followed by Wyckoff position exchange. The new structure sustains the ideal-alignment of (IO₃)^- groups. Importantly, LMIO exhibits an extremely strong SHG effect of roughly 24 × KH₂PO₄ (KDP) under 1064 nm laser radiation or 1.5 × AgGaS₂ (AGS) under 2.05 μm laser radiation, which is larger than that of α-LiIO₃ (18 × KDP). The replacement of M^IV with Mg²⁺ 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.