title: Midinfrared Nonlinear Optical Thiophosphates from LiZnPS4 to AgZnPS4: A Combined Experimental and Theoretical Study.
abstract: Our earlier theoretical calculation and preliminary experiment highlighted LiZnPS4 as a good mid-infrared (mid-IR) nonlinear optical (NLO) material. However, this compound suffers from problems including corrosion of the silica tubes, a pungent smell, deliquescence, and incongruent-melting behavior in the further single crystal growth and applications. In order to overcome these problems, herein, we investigate the analogues of LiZnPS4 and propose that AgZnPS4 would be a good candidate. The combination of experimental and theoretical study demonstrates that AgZnPS4 exhibits a much stronger NLO effect than that of LiZnPS4 despite the relatively smaller energy band gap. More importantly, AgZnPS4 melts congruently with a melting point as low as 534 °C, much lower than those of traditional IR NLO crystals, and is nondeliquescent with enough stability in the air. Such a good crystal growth habit and chemical stability enable AgZnPS4 to possess much better overall performance for the practical mid-IR NLO applications.
authors.affiliation: Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, Peoples' Republic of China.|University of Chinese Academy of Sciences , Beijing 100190, Peoples' Republic of China.
authors.forename: Molin
authors.initials: M
authors.lastname: Zhou
authors.affiliation: Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, Peoples' Republic of China.|University of Chinese Academy of Sciences , Beijing 100190, Peoples' Republic of China.
authors.forename: Lei
authors.initials: L
authors.lastname: Kang
authors.affiliation: Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, Peoples' Republic of China.
authors.forename: Jiyong
authors.initials: J
authors.lastname: Yao
authors.affiliation: Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, Peoples' Republic of China.
authors.forename: Zheshuai
authors.initials: Z
authors.lastname: Lin
authors.affiliation: Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, Peoples' Republic of China.
authors.forename: Yicheng
authors.initials: Y
authors.lastname: Wu
authors.affiliation: Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, Peoples' Republic of China.
authors.forename: Chuangtian
authors.initials: C
authors.lastname: Chen