M6PS5X (M = Ag, Cu; X = Cl, Br) chalcohalides exhibiting strong nonlinear optical responses and high laser damage resistances. Issue 48 (1st December 2021)

• Record Type: Journal Article
• Authors: Gao, Lihua; Wu, Xiaowen; Yang, Daqing; Tian, Xinyu; Xu, Jingjing; Zhang, Bingbing; Wu, Kui
• Is Part Of: Dalton transactions. Volume 50:Issue 48(2021)
• Page Start: 17901
• Page End: 17905
• Publication Date: 2021-12-01
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d1dt03251h
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : A series of M6 PS5 X chalcohalides exhibiting strong nonlinear optical responses and large laser-damage thresholds were systematically investigated. Abstract : A series of M6 PS5 X (M = Ag, Cu; X = Cl, Br) nonlinear optical (NLO) chalcohalides with special MS3 X ligands have been synthesized in this work. Their critical optical performances were systematically measured and the research results show that all of them exhibit strong NLO responses (2.0–2.7 × commercial AgGaS2 ) and high laser-damage thresholds (1.7–2.3 × AgGaS2 ), indicating their potential application as good NLO candidates. Furthermore, first-principles calculations were used to study their inherent structure–property relationships and chalcohalides can be expected to be optimal systems for the exploration of new promising IR NLO crystals.