SrAgAsS4: A Noncentrosymmetric Sulfide with Good Infrared Nonlinear Optical Performance Induced by Aliovalent Substitution from Centrosymmetric SrGa2S4

SrAgAsS4: A Noncentrosymmetric Sulfide with Good Infrared Nonlinear Optical Performance Induced by Aliovalent Substitution from Centrosymmetric SrGa2S4

A new noncentrosymmetric (NCS) quaternary sulfide, SrAgAsS4, was obtained via the strategy of aliovalent substitution based on centrosymmetric (CS) SrGa2S4. The new compound features two-dimensional [AgAsS4]2– layers, which are composed of alternately connected [AsS4] tetrahedra and [AgS4] tetrahedr...

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Veröffentlicht in:Inorganic chemistry 2022-06, Vol.61 (24), p.9205-9212
Hauptverfasser: Tang, Jian, Liang, Fei, Tang, Chunlan, Xing, Wenhao, Wu, Jieyun, Yin, Wenlong, Kang, Bin, Deng, Jianguo
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container_end_page 9212
container_issue 24
container_start_page 9205
container_title Inorganic chemistry
container_volume 61
creator Tang, Jian
Liang, Fei
Tang, Chunlan
Xing, Wenhao
Wu, Jieyun
Yin, Wenlong
Kang, Bin
Deng, Jianguo
description A new noncentrosymmetric (NCS) quaternary sulfide, SrAgAsS4, was obtained via the strategy of aliovalent substitution based on centrosymmetric (CS) SrGa2S4. The new compound features two-dimensional [AgAsS4]2– layers, which are composed of alternately connected [AsS4] tetrahedra and [AgS4] tetrahedra. Importantly, SrAgAsS4 exhibits a strong phase-matched second-harmonic generation response (1.35 × AgGaS2 at 2100 nm) and has a suitable birefringence (0.15@2100 nm) and moderate band gap (2.31 eV). The first-principles calculations revealed the significant contribution of [AsS4] and [AgS4] tetrahedra to its optical properties. This work will promote the application of the aliovalent substitution strategy in the design of NCS-structure-based functional materials.
doi_str_mv 10.1021/acs.inorgchem.2c00759
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title SrAgAsS4: A Noncentrosymmetric Sulfide with Good Infrared Nonlinear Optical Performance Induced by Aliovalent Substitution from Centrosymmetric SrGa2S4
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