Quaternary alkaline-earth metal thiophosphate SrAgPS4: syntheses, structures, and optical properties

Wenhao Xing; Jian Tang; Fei Liang; Chunlan Tang; Jieyun Wu; Wenlong Yin; Bin Kang; Jianguo Deng

doi:10.1039/d3dt00793f

Quaternary alkaline-earth metal thiophosphate SrAgPS₄: syntheses, structures, and optical properties

Dalton Trans. 2023 May 22;52(20):6915-6921. doi: 10.1039/d3dt00793f.

Authors

Wenhao Xing¹, Jian Tang¹, Fei Liang², Chunlan Tang^{1

3}, Jieyun Wu³, Wenlong Yin¹, Bin Kang¹, Jianguo Deng¹

Affiliations

¹ Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900, People's Republic of China. wlyin@caep.cn.
² State Key Laboratory of Crystal Materials and Institute of Crystal Materials, Shandong University, Jinan, China.
³ School of Optoelectronic Science and Engineering, University of Electronic Scienceand Technology of China, Chengdu 611731, P. R. China.

PMID: 37158594
DOI: 10.1039/d3dt00793f

Abstract

Metal thiophosphates have outstanding properties for the generation of mid-infrared coherent light and are an emerging nonlinear optical material system. In this study, a new non-centrosymmetric (NCS) quaternary alkaline-earth metal thiophosphate, SrAgPS₄, was obtained via a high-temperature solid-state method. The new compound crystallizes in the NCS Ama2 (No. 40) space group and features two-dimensional [AgPS₄]^2- layers consisting of alternately connected [PS₄] and [AgS₄] tetrahedra. SrAgPS₄ exhibits a strong phase-matched second harmonic generation response (1.10 × AgGaS₂ at 2100 nm) and a large band gap (2.97 eV). In addition, theoretical calculations reveal the intrinsic relationship between the electronic structure and optical properties. This work enriches and greatly promotes the research on infrared nonlinear optical materials based on thiophosphates.