Design of Pentanary Mixed-Chalcogenides Ag2In2SiS6-x Se x (x=1, 2) Based on the Bucket Effect: Local Structural Difference and High-Performance Nonlinear-Optical Properties Realized by Partial Congener Substitution

被引：1

作者：

Li, Ming-Yang ^{[1
]}

Li, Jun ^{[2
]}

Yao, Wen-Dong ^{[2
]}

Zhang, Nan ^{[2
]}

Xu, Hai-Ping ^{[1
]}

Zhou, Wenfeng ^{[2
]}

Guo, Sheng-Ping ^{[1
]}

机构：

[1] Yunnan Univ, Natl Ctr Int Res Photoelect & Energy Mat, Sch Mat & Energy, Yunnan Key Lab Electromagnet Mat & Devices, Kunming 650000, Yunnan, Peoples R China

[2] Yangzhou Univ, Sch Chem & Chem Engn, Yangzhou 225002, Jiangsu, Peoples R China

来源：

INORGANIC CHEMISTRY | 2024年 / 63卷 / 17期

基金：

中国国家自然科学基金;

关键词：

2ND-HARMONIC GENERATION RESPONSE; RECENT ACHIEVEMENTS; DAMAGE THRESHOLD; SULFIDES; GROWTH; RB;

D O I：

10.1021/acs.inorgchem.4c01176

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Noncentrosymmetric chalcogenides are promising candidates for infrared nonlinear-optical (NLO) crystals, and exploring high-performance ones is a hot topic and challengeable. Herein, the combination of AgQ(4), InQ(4), and SiQ(4) (Q = S, Se) units with different S/Se ratios resulted in the discovery of the tetrahedral chalcogenides Ag2In2SiS4Se2 (1) and Ag2In2SiS5Se (2). They both crystallize in the monoclinic Cc space group with different local structures. Co-occupied S/Se sites only exist in 2, and the arrangement of [In(2)SiQ(3)] six-membered rings builds different helical chains and 3D [(In(2)SiQ(6))(2-)](n) polyanionic frameworks in 1 and 2. They show balanced NLO performances, including phase-matchable moderate NLO responses (0.7 and 0.5 x AGS) and enhanced laser-induced damage thresholds (4.5 and 5.1 x AGS). Theoretical calculations reveal that their NLO responses are predominantly contributed by the AgQ(4) and InQ(4) units.

引用

页码：7555 / 7559

页数：5