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Experimental and theoretical methods were combined to investigate AgZnPS4 as an interesting mid-IR NLO material, which may overcome some disadvantages of LiZnPS4.
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.
|حجم فایل||628 B|