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

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

Chem Commun (Camb). 2019 Nov 28;55(96):14510-14513. doi: 10.1039/c9cc07288h.

Authors

Wangzhu Cao¹, Dajiang Mei, Yi Yang, Yuanwang Wu, Lingyun Zhang, Yuandong Wu, Xiao He, Zheshuai Lin, Fuqiang Huang

Affiliation

¹ College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620, China. meidajiang718@pku.edu.cn.

PMID: 31735948
DOI: 10.1039/c9cc07288h

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.