From CuFeS2 to Ba6Cu2FeGe4S16: rational band gap engineering achieves large second-harmonic-generation together with high laser damage threshold

Wangzhu Cao; Dajiang Mei; Yi Yang; Yuanwang Wu; Lingyun Zhang; Yuandong Wu; Xiao He; Zheshuai Lin; Fuqiang Huang

doi:10.1039/C9CC07288H

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From CuFeS₂ to Ba₆Cu₂FeGe₄S₁₆: rational band gap engineering achieves large second-harmonic-generation together with high laser damage threshold†

Wangzhu Cao,

^a Dajiang Mei,*^a Yi Yang,^bc Yuanwang Wu,^d Lingyun Zhang,

^a Yuandong Wu,^a Xiao He,

^ef Zheshuai Lin*^bc and Fuqiang Huang

*^g

Author affiliations

* Corresponding authors

^a College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620, China
E-mail: meidajiang718@pku.edu.cn

^b Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
E-mail: zslin@mail.ipc.ac.cn

^c University of Chinese Academy of Sciences, Beijing 100190, China

^d State Key Laboratory of Bioreactor Engineering, Department of Bioengineering, East China University of Science and Technology, Shanghai, China

^e Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, China

^f NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai, China

^g State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China
E-mail: huangfq@mail.sic.ac.cn

Abstract

A new germanium-based sulfide, Ba₆Cu₂FeGe₄S₁₆, achieves a band-gap broadening of more than 1 eV relative to CuFeS₂. Remarkably, Ba₆Cu₂FeGe₄S₁₆ exhibits excellent comprehensive NLO performance (SHG, 1.5 × AgGaSe₂; LDT, 2 × AgGaSe₂), satisfying the essential requirements of mid-IR NLO candidates.

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Article information

DOI: https://doi.org/10.1039/C9CC07288H
Article type: Communication
Submitted: 17 Sep 2019
Accepted: 05 Nov 2019
First published: 05 Nov 2019

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Chem. Commun., 2019,55, 14510-14513

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From CuFeS₂ to Ba₆Cu₂FeGe₄S₁₆: rational band gap engineering achieves large second-harmonic-generation together with high laser damage threshold

W. Cao, D. Mei, Y. Yang, Y. Wu, L. Zhang, Y. Wu, X. He, Z. Lin and F. Huang, Chem. Commun., 2019, 55, 14510 DOI: 10.1039/C9CC07288H

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