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RESEARCH PAPER · Advanced Optical Materials · 2022

AeMg6Ga6S16 (Ae = Ca, Sr, Ba): The First Double Alkaline‐Earth Metal Chalcogenides with Excellent Performances

Jiale Chen, Yu-Jie Zhang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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AeMg6Ga6S16 (Ae = Ca, Sr, Ba): The First Double Alkaline‐Earth Metal Chalcogenides with Excellent PerformancesOriginalAn overview of Mg-based IR nonlinear optical materials22Structure and optical property evolution in PbM(PO 4 )X (M = Zn, Sn; X = halogen): SHG effect and birefringence21Designing a Strong Second-Harmonic Generation Polar Iodate by the Structure-Directing Properties of the “Tumbler-like” [Zn(IO3)(I2O5(OH))] Polyanions20Na3SiS3F: A Wide Bandgap Fluorothiosilicate with Unique [SiS3F] Unit and High Laser‐Induced Damage Threshold39Cs4Zn5P6S18I2: the Largest Birefringence in Chalcohalide Achieved by Highly Polarizable Nonlinear Optical Functional Motifs21Ga-based IR nonlinear optical materials: Synthesis, structures, and properties65Effectively designing infrared nonlinear optical materials with magnetism, MMn 6 Ga 6 S 16 (M = Ca, Sr, Ba, and Pb), aided by stable open frameworks13Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence10Wide band gap selenide infrared nonlinear optical materials A II Mg 6 Ga 6 Se 16 with strong SHG responses and high laser-induced damage thresholds31Evaluation and prospect of Mid-Infrared nonlinear optical materials in f0 rare earth (RE = Sc, Y, La) chalcogenides44[Na2PbI][Ga7S12]: Combining Diamond-Like Anionic Framework with Polycationic Chain toward Achieving Remarkable Nonlinear Optical Response21LaMg6Ga6S16: a chemical stable divalent lanthanide chalcogenide70The centrosymmetric to non-centrosymmetric transformation induced by alkaline-earth cations producing infrared nonlinear optical AeMn6Ga6S16 (Ae = Ca, Sr)13Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances17Designing infrared nonlinear optical crystals, Sr 2 MgSn 2 OS 6 and Sr 2 SnGa 2 OS 6 , with hybrid anionic frameworks via a double substitution strategy4NaCaGa 3 S 6 : a mixed alkali metal and alkaline earth metal sulfide with a distinctive [Ga 5 S 10 ] ∞ layered framework0From Centrosymmetric Eu 2 Ga 2 S 5 to Noncentrosymmetric EuMg 6 Ga 6 S 16 via Introduction of Distorted MgS 6 Octahedron: Featuring Wide Bandgap and Nonlinear Optical Activity3Ba-based IR nonlinear optical materials: synthesis, growth, structures, and properties6KGdSiSe 4 and KGdGeSe 4 : two rare earth-based selenides with wide bandgaps and large nonlinear optical responses0LnMg 6 Ga 6 S 16 (Ln = Nd, Sm), two bifunctional optical materials exhibiting both nonlinear optical and photoluminescent properties0Study on the Material Properties of AB2C4 (A=Mg; B=In, Ga; C=Te, Se) Near Infrared Materials Based on Machine Learning and Density Functional Theory0高性能硫属化物红外非线性光学材料构效关系（特邀）0SrMnGeS 4 : A Two-Dimensional Layered Chalcogenide with Magnetic Triangular Lattice0Study on the material properties of AB2C4 (A=Mg; B=In, Ga; C=Te, Se) near infrared materials based on machine learning and density functional theory2{[Ge 2 S 7 ] 6– } ∞ Chains-Mediated Framework Reorganization Triggers Dimensional Upgrade and Infrared Nonlinear Optical Response3From Centrosymmetric Mg 2 GeS 4 to Noncentrosymmetric CdMg 3 Ge 2 S 8 : Cation-Mixing-Driven Symmetry Reduction4First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 80Cation-substitution-driven electronic, nonlinear optical, elastic, and thermal transport properties of layered AeHgGeSe4 (Ae = Ba, Sr): A first-principles study0

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  1. An overview of Mg-based IR nonlinear optical materials

    Inorganic Chemistry Frontiers · 2023-01-01

    Jiaxiang Zhang, Mao‐Yin Ran, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  2. Structure and optical property evolution in PbM(PO 4 )X (M = Zn, Sn; X = halogen): SHG effect and birefringence

    Inorganic Chemistry Frontiers · 2023-01-01

    Xiaobao Li, Chun‐Li Hu, Fang Kong, Jiang‐Gao Mao

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  3. Designing a Strong Second-Harmonic Generation Polar Iodate by the Structure-Directing Properties of the “Tumbler-like” [Zn(IO3)(I2O5(OH))] Polyanions

    ACS Materials Letters · 2023-05-08

    Jiale Chen, Pengcheng Yang, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongping Wu

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  4. Na3SiS3F: A Wide Bandgap Fluorothiosilicate with Unique [SiS3F] Unit and High Laser‐Induced Damage Threshold

    Advanced Optical Materials · 2023-05-17

    Jiazheng Zhou, Linan Wang, Yu Chu, Hongshan Wang, Shilie Pan, Junjie Li

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  5. Cs4Zn5P6S18I2: the Largest Birefringence in Chalcohalide Achieved by Highly Polarizable Nonlinear Optical Functional Motifs

    Small · 2023-07-18

    Xian‐Dan Chai, Mingze Li, Shujuan Lin, Wen‐Fa Chen, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  6. Ga-based IR nonlinear optical materials: Synthesis, structures, and properties

    Coordination Chemistry Reviews · 2023-12-21

    Jiaxiang Zhang, Ping Feng, Mao‐Yin Ran, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  7. Effectively designing infrared nonlinear optical materials with magnetism, MMn 6 Ga 6 S 16 (M = Ca, Sr, Ba, and Pb), aided by stable open frameworks

    Inorganic Chemistry Frontiers · 2024-01-01

    Kaixuan Li, Yujie Zhang, Xianchao Zhu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  8. Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence

    Chemical Science · 2024-01-01

    Shao‐Min Pei, Ming‐Shu Zhang, Fan Wu, Yan Guo, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  9. Wide band gap selenide infrared nonlinear optical materials A II Mg 6 Ga 6 Se 16 with strong SHG responses and high laser-induced damage thresholds

    Chemical Science · 2024-01-01

    Linan Wang, Dongdong Chu, Zhihua Yang, Junjie Li, Shilie Pan

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  10. Evaluation and prospect of Mid-Infrared nonlinear optical materials in f0 rare earth (RE = Sc, Y, La) chalcogenides

    Coordination Chemistry Reviews · 2024-03-22

    Linfeng Dong, Shengzi Zhang, Pifu Gong, Lei Kang, Zheshuai Lin

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  11. [Na2PbI][Ga7S12]: Combining Diamond-Like Anionic Framework with Polycationic Chain toward Achieving Remarkable Nonlinear Optical Response

    Chemistry of Materials · 2024-03-27

    Zixuan Wu, Wen‐Fa Chen, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  12. LaMg6Ga6S16: a chemical stable divalent lanthanide chalcogenide

    Nature Communications · 2024-04-05

    Yu-Jie Zhang, Jiale Chen, Kaixuan Li, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  13. The centrosymmetric to non-centrosymmetric transformation induced by alkaline-earth cations producing infrared nonlinear optical AeMn6Ga6S16 (Ae = Ca, Sr)

    Science China Chemistry · 2024-07-10

    Yangping Zhang, Shao‐Min Pei, Wen‐Fa Chen, Bin‐Wen Liu, Xiao‐Ming Jiang, Guo‐Cong Guo

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  14. Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances

    Small · 2024-12-23

    Junben Huang, Ailijiang Abudurusuli, Zhihua Yang, Shilie Pan

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  15. Designing infrared nonlinear optical crystals, Sr 2 MgSn 2 OS 6 and Sr 2 SnGa 2 OS 6 , with hybrid anionic frameworks via a double substitution strategy

    Materials Chemistry Frontiers · 2025-01-01

    Zhen Qian, Deman Kong, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  16. NaCaGa 3 S 6 : a mixed alkali metal and alkaline earth metal sulfide with a distinctive [Ga 5 S 10 ] ∞ layered framework

    Dalton Transactions · 2025-01-01

    Jiale Chen, Haipeng Zhou, Huimin Sha, Jinfeng Liu, Xiu Zhu, Guisheng Xu, Jiankang Wang

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  17. From Centrosymmetric Eu 2 Ga 2 S 5 to Noncentrosymmetric EuMg 6 Ga 6 S 16 via Introduction of Distorted MgS 6 Octahedron: Featuring Wide Bandgap and Nonlinear Optical Activity

    Inorganic Chemistry · 2025-08-21

    Qiu-Yang Du, Wen‐Dong Yao, Xu-Bin Ni, Wenfeng Zhou, Wenlong Liu, Sheng‐Ping Guo

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  18. Ba-based IR nonlinear optical materials: synthesis, growth, structures, and properties

    Coordination Chemistry Reviews · 2025-11-19

    Wei Huang, Chi Wang, Guohong Tang, Kexin Huang, Baojun Chen, Z. Y. He, Z. Y. He

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  19. KGdSiSe 4 and KGdGeSe 4 : two rare earth-based selenides with wide bandgaps and large nonlinear optical responses

    Dalton Transactions · 2026-01-01

    Zhenglong Li, Guansong Zheng, Chen Bai, Leyan Nian, Shilie Pan, Junjie Li

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  20. LnMg 6 Ga 6 S 16 (Ln = Nd, Sm), two bifunctional optical materials exhibiting both nonlinear optical and photoluminescent properties

    Dalton Transactions · 2026-01-01

    Jiankang Wang, Y. Q. Chen, Jiale Chen, Chengbo Li, Haipeng Zhou, Guisheng Xu, Xiu Zhu, Jinfeng Liu

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  21. Study on the Material Properties of AB2C4 (A=Mg; B=In, Ga; C=Te, Se) Near Infrared Materials Based on Machine Learning and Density Functional Theory

    SSRN Electronic Journal · 2026-01-01

    Changcheng Chen, Ruixin Tu, Chunlian Xiong, Jingwen Deng, Meng Bao, Yunpu Wen, Yaxin Xu, Xinhui Zhang, Chunling Zhang, Jiangzhou Xie, Gang Liu, Xiaoning Guan, Pengfei Lu

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  22. 高性能硫属化物红外非线性光学材料构效关系（特邀）

    Chinese Journal of Lasers · 2026-01-01

    张成龙 Zhang Chenglong, 王硕 Wang Shuo, Ailijiang Abudurusuli, 黄君本 Huang Junben

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  23. SrMnGeS 4 : A Two-Dimensional Layered Chalcogenide with Magnetic Triangular Lattice

    Inorganic Chemistry · 2026-01-21

    Chenyao Zhao, Yanhong Wang, Yun Lv, SeungGyum Jung, Hyun‐Joo Koo, Myung‐Hwan Whangbo, Hongcheng Lu

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  24. Study on the material properties of AB2C4 (A=Mg; B=In, Ga; C=Te, Se) near infrared materials based on machine learning and density functional theory

    Physica B Condensed Matter · 2026-03-04

    Ruixin Tu, Chunlian Xiong, Changcheng Chen, Jingwen Deng, Meng Bao, Yunpu Wen, Yaxin Xu, Xinhui Zhang, Chunling Zhang, Jiangzhou Xie, Gang Liu, XiaoNing Guan, PengFei Lü

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  25. {[Ge 2 S 7 ] 6– } ∞ Chains-Mediated Framework Reorganization Triggers Dimensional Upgrade and Infrared Nonlinear Optical Response

    Chemistry of Materials · 2026-03-19

    Wen-Rui Zhou, Zhen-Cheng Wu, Yong-han WU Xue-jiao LIU, Mao‐Yin Ran, Sheng‐Ping Guo

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  26. From Centrosymmetric Mg 2 GeS 4 to Noncentrosymmetric CdMg 3 Ge 2 S 8 : Cation-Mixing-Driven Symmetry Reduction

    Chemistry of Materials · 2026-04-07

    Chonglei Xu, Eric A. Gabilondo, Michael J. Waters, Yunseung Kuk, James M. Rondinelli, P. Shiv Halasyamani

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  27. First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 8

    Advanced Physics Research · 2026-07-23

    Saravana Karthikeyan SKS, Sankar Ganesh Ramaraj, Ryo Watanabe, Choji Fukuhara, Chang Yi Kong

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  28. Cation-substitution-driven electronic, nonlinear optical, elastic, and thermal transport properties of layered AeHgGeSe4 (Ae = Ba, Sr): A first-principles study

    Computational Condensed Matter · 2026-08-12

    Saravana Karthikeyan SKS, Shaik Gouse Peera, Chang Yi Kong

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