Citation: Hong Chen, Mao-Yin Ran, Sheng-Hua Zhou, Xin-Tao Wu, Hua Lin, Qi-Long Zhu. Simple yet extraordinary: Super-polyhedra-built 3D chalcogenide framework of Cs₅Ga₉S₁₆ with excellent infrared nonlinear optical performance[J]. Chinese Chemical Letters, ;2023, 34(7): 107838. doi: 10.1016/j.cclet.2022.107838 shu

Simple yet extraordinary: Super-polyhedra-built 3D chalcogenide framework of Cs₅Ga₉S₁₆ with excellent infrared nonlinear optical performance

Hong Chen ^{a, b, 1} ,
Mao-Yin Ran ^{a, c, 1} ,
Sheng-Hua Zhou ^{a, c} ,
Xin-Tao Wu ^{a, b, c} ,
Hua Lin ^{a, b, c, *,} ,
Qi-Long Zhu ^{a, b, c, *,}

a.
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences (CAS), Fuzhou 350002, China
b.
Fujian Science & Technology Innovation Laboratory for Optoelectronic Information of China, Fuzhou 350108, China
c.
University of Chinese Academy of Sciences, Beijing 100049, China

linhua@fjirsm.ac.cn

qlzhu@fjirsm.ac.cn

Received Date: 25 July 2022
Revised Date: 29 August 2022
Accepted Date: 20 September 2022
Available Online: 23 September 2022

Figures(4)

Non-centrosymmetric chalcogenides are attracting considerable attention as highly promising infrared nonlinear optical (IR-NLO) candidates, but it is challenging to simultaneously achieve sufficient second-harmonic-generation coefficient (d_eff > 0.5 × AgGaS₂) and large energy gap (E_g > 3.5 eV). In this work, a novel ternary chalcogenide, Cs₅Ga₉S₁₆ with an ultra-wide E_g of 4.05 eV, has been successfully obtained. This sulfide belongs to the monoclinic space group Pn (No. 7) with a novel 3D anionic [Ga₉S₁₆]^5– framework that is formed by super-polyhedral [Ga₉S₂₃] units through corner-sharing S atoms. Such a unique crystal structure displays desirable characteristics which indicate a promising IR-NLO candidate: favourable phase-matching feature, sufficient d_eff (0.7 × AgGaS₂), ultrahigh laser-induced damage threshold (31.6 × AgGaS₂) and broad transparent region (0.27−14.96 µm). In addition, systematic theoretical studies and structural analysis suggest that the desirable IR-NLO performances can be attributed to the super-polyhedral building blocks. This finding may provide useful insight into the understanding and designing other high-performance IR-NLO candidates with super-polyhedral-built structures.
- Chalcogenide,
- IR nonlinear optic,
- Super-polyhedra-built framework,
- Wide energy gap,
- Structure-activity relationship
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Simple yet extraordinary: Super-polyhedra-built 3D chalcogenide framework of Cs5Ga9S16 with excellent infrared nonlinear optical performance

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通讯作者: 陈斌, bchen63@163.com

Simple yet extraordinary: Super-polyhedra-built 3D chalcogenide framework of Cs₅Ga₉S₁₆ with excellent infrared nonlinear optical performance