Synthesis, Crystal Structure, and Nonlinear-Optical Properties of a Diamond-Like Chalcogenide Cu2GeS3

Xianghe Meng; Pifu Gong; Jinlong Shi; Chunxiao Li; Zheshuai Lin; Jiyong Yao

doi:10.1021/acs.inorgchem.3c01553

Synthesis, Crystal Structure, and Nonlinear-Optical Properties of a Diamond-Like Chalcogenide Cu₂GeS₃

Inorg Chem. 2023 Jul 17;62(28):10892-10896. doi: 10.1021/acs.inorgchem.3c01553. Epub 2023 Jun 29.

Authors

Xianghe Meng^{1

2}, Pifu Gong^{3

2}, Jinlong Shi^{1

2}, Chunxiao Li^{1

2}, Zheshuai Lin^{3

2}, Jiyong Yao^{1

2}

Affiliations

¹ Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
² University of Chinese Academy of Sciences, Beijing 100049, China.
³ Functional Crystals Laboratory, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.

PMID: 37384569
DOI: 10.1021/acs.inorgchem.3c01553

Abstract

Metal sulfides with diamond-like (DL) structures generally exhibit excellent mid-IR nonlinear-optical (NLO) properties. Here, Cu₂GeS₃ (CGS) as a member of the DL chalcogenides was synthesized by a high-temperature solid-state method, and the optical properties were carefully studied experimentally and theoretically. The results revealed that CGS has a large second harmonic generation (0.8 × AgGaSe₂) and a moderate birefringence of 0.067 at 1064 nm. In addition, the linear and NLO properties of the A₂MS₃ (A = Cu, Li; M = Ge, Si) series of compounds were evaluated and compared with the help of first-principles calculations.