LiMg(IO3)3: an excellent SHG material designed by single-site aliovalent substitution. Issue 47 (21st October 2019)

• Record Type: Journal Article
• Authors: Chen, Jin; Hu, Chun-Li; Mao, Fei-Fei; Zhang, Xiao-Han; Yang, Bing-Ping; Mao, Jiang-Gao
• Is Part Of: Chemical science. Volume 10:Issue 47(2019)
• Page Start: 10870
• Page End: 10875
• Publication Date: 2019-10-21
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c9sc04832d
• Languages: English
• ISSNs: 2041-6520

Abstract

Abstract : An excellent SHG iodate, LiMg(IO3 )3, has been obtained via the aliovalent substitution of defect-containing M IV sites with ordered Mg 2+ . Abstract : An excellent second harmonic generation (SHG) material, LiMg(IO3 )3 (LMIO), has been elaborately designed from Li2 M 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 × KH2 PO4 (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 Mg 2+ 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.