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RESEARCH PAPER · Inorganic Chemistry · 2019

Dependence of the Second-Harmonic Generation Response on the Cell Volume to Band-Gap Ratio

Xiyue Cheng, Myung‐Hwan Whangbo, Maochun Hong, Shuiquan Deng

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Dependence of the Second-Harmonic Generation Response on the Cell Volume to Band-Gap RatioOriginalSecond harmonic generation responses of KH 2 PO 4 : importance of K and breaking down of Kleinman symmetry49Strong nonlinear optical effect attained by atom-response-theory aided design in the Na 2 M II MIV2Q 6 (M II = Zn, Cd; M IV = Ge, Sn; Q = S, Se) chalcogenide system27The partition principles for atomic-scale structures and their physical properties: application to the nonlinear optical crystal material KBe 2 BO 3 F 210Key Factors Controlling the Large Second Harmonic Generation in Nonlinear Optical Materials37Physical Properties of Molecules and Condensed Materials Governed by Onsite Repulsion, Spin-Orbit Coupling and Polarizability of Their Constituent Atoms5Shock wave-induced optical band gap engineering on pure and dye-doped potassium dihydrogen phosphate crystals16Phase Matching, Strong Frequency Doubling, and Outstanding Laser-Induced Damage Threshold in the Biaxial, Quaternary Diamond-like Semiconductor Li 4 CdSn 2 S 779Three-in-One Strategy Constructing a Series of Hybrid Tetrahedral Motif-Based Selenides with Balanced Second-Order Nonlinear Optical Performance12Na 3 Ti 3 O 3 (SeO 3 ) 4 F: A Phase-Matchable Nonlinear-Optical Crystal with Enlarged Second-Harmonic-Generation Intensity and Band Gap20Material research from the viewpoint of functional motifs103Negative Second Harmonic Response of Sn4+in the Fresnoite Oxysulfide Ba2SnSSi2O720Crystal structure, electronic structure, and optical properties of the novel Li 4 CdGe 2 S 7 , a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite6Phase Competition and Strong SHG Responses of the Li2MIIMIVSe4 Family: Atom Response Theory Predictions versus Experimental Results24Diffraction and microscopic studies on lithium sulfate doped l-Threonine under dynamic shock wave exposed conditions3Structural and optical studies of single crystals of L-alanine L-alaninium picrate monohydrate under dynamic shock pulse-loaded conditions for photonic applications7Insight into the Origin of Second Harmonic Generation and Rational Design in the Metal Halide Borates7Origin of Pressure-Induced Nonlinear Optical Property Enhancement in CsGeCl 3 Perovskite: [GeCl 6 ] Octahedron Distortion and Band Gap Closing21Second-Harmonic Generation Response in Nitridophosphates MP2N4 (M = Ge, Sn, Pb) and the Role of Stereochemically Active Lone Pairs6Origin of Large Second-Harmonic Generation in Nonpolar Molybdenum Tellurite Compounds0Atom-Response-Theory-Guided Design of Chiral Niobium Halides with both a Large Nonlinear Coefficient and Strong Chiroptical Nonlinearity3Halogen Engineering and Orbital Origins of Large Second-Harmonic Generation in Organic–Inorganic Hybrid Metal Halides2Persistent Second‐Harmonic Generation Enhancement Across an Unprecedented Pressure Range in a Hybrid Antimony Halide0Persistent Second‐Harmonic Generation Enhancement Across an Unprecedented Pressure Range in a Hybrid Antimony Halide0Accelerating the discovery of athermal deep-ultraviolet nonlinear optical crystals via physics-informed herarchical graph learning1Dual tuning of second-harmonic generation and Rashba-Dresselhaus spin-splitting in chiral hybrid perovskites via halogen-site engineering1Cation-Modulated Activation of Linear Units in an Ordered Arrangement Achieves the Largest Optical Anisotropy in Wide-Bandgap Metal Chalcogenides0

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26 direct citing papers saved.

  1. Second harmonic generation responses of KH 2 PO 4 : importance of K and breaking down of Kleinman symmetry

    RSC Advances · 2020-01-01

    Minghao Jia, Xiyue Cheng, Myung‐Hwan Whangbo, Maochun Hong, Shuiquan Deng

    Read original paper ↗ ·

  2. Strong nonlinear optical effect attained by atom-response-theory aided design in the Na 2 M II MIV2Q 6 (M II = Zn, Cd; M IV = Ge, Sn; Q = S, Se) chalcogenide system

    Journal of Materials Chemistry C · 2020-01-01

    Run Ye, Xiyue Cheng, Bin‐Wen Liu, Xiao‐Ming Jiang, Long‐Qi Yang, Shuiquan Deng, Guo‐Cong Guo

    Read original paper ↗ ·

  3. The partition principles for atomic-scale structures and their physical properties: application to the nonlinear optical crystal material KBe 2 BO 3 F 2

    Physical Chemistry Chemical Physics · 2020-01-01

    Zewen Cai, Xiyue Cheng, Myung‐Hwan Whangbo, Maochun Hong, Shuiquan Deng

    Read original paper ↗ ·

  4. Key Factors Controlling the Large Second Harmonic Generation in Nonlinear Optical Materials

    ACS Applied Materials & Interfaces · 2020-01-24

    Xiyue Cheng, Zhenhua Li, Xintao Wu, Maochun Hong, Myung‐Hwan Whangbo, Shuiquan Deng

    Read original paper ↗ ·

  5. Physical Properties of Molecules and Condensed Materials Governed by Onsite Repulsion, Spin-Orbit Coupling and Polarizability of Their Constituent Atoms

    Molecules · 2020-02-16

    Paul A. Maggard, Xiyue Cheng, Shuiquan Deng, Myung‐Hwan Whangbo

    Read original paper ↗ ·

  6. Shock wave-induced optical band gap engineering on pure and dye-doped potassium dihydrogen phosphate crystals

    Journal of Materials Science Materials in Electronics · 2020-07-12

    Aswathappa Sivakumar, S. Sahaya Jude Dhas, S. A. Martin Britto Dhas, S. A. Martin Britto Dhas, S. A. Martin Britto Dhas

    Read original paper ↗ ·

  7. Phase Matching, Strong Frequency Doubling, and Outstanding Laser-Induced Damage Threshold in the Biaxial, Quaternary Diamond-like Semiconductor Li 4 CdSn 2 S 7

    Chemistry of Materials · 2020-11-25

    Jian‐Han Zhang, Stanislav S. Stoyko, Andrew J. Craig, P. Grima, Joshua W. Kotchey, Joon Ik Jang, Jennifer A. Aitken

    Read original paper ↗ ·

  8. Three-in-One Strategy Constructing a Series of Hybrid Tetrahedral Motif-Based Selenides with Balanced Second-Order Nonlinear Optical Performance

    Inorganic Chemistry · 2021-04-15

    Xiaohui Li, Wen‐Dong Yao, Yu-Long Wei, Sheng‐Ping Guo

    Read original paper ↗ ·

  9. Na 3 Ti 3 O 3 (SeO 3 ) 4 F: A Phase-Matchable Nonlinear-Optical Crystal with Enlarged Second-Harmonic-Generation Intensity and Band Gap

    Inorganic Chemistry · 2022-01-24

    Shengnan Yan, Xiaoxue Wang, Chun‐Li Hu, Bingxuan Li, Fang Kong, Jiang‐Gao Mao

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  10. Material research from the viewpoint of functional motifs

    National Science Review · 2022-02-10

    Xiao‐Ming Jiang, Shuiquan Deng, Myung‐Hwan Whangbo, Guo‐Cong Guo

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  11. Negative Second Harmonic Response of Sn4+in the Fresnoite Oxysulfide Ba2SnSSi2O7

    Chemistry of Materials · 2022-05-05

    Batoul Almoussawi, Wen‐Dong Yao, Sheng‐Ping Guo, Myung‐Hwan Whangbo, Valérie Dupray, Simon Clevers, Shuiquan Deng, Houria Kabbour

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  12. Crystal structure, electronic structure, and optical properties of the novel Li 4 CdGe 2 S 7 , a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite

    Acta Crystallographica Section C Structural Chemistry · 2022-08-22

    Andrew J. Craig, Seung Han Shin, Jeong Bin Cho, Srikanth Balijapelly, Jordan C. Kelly, Stanislav S. Stoyko, Amitava Choudhury, Joon Ik Jang, Jennifer A. Aitken

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  13. Phase Competition and Strong SHG Responses of the Li2MIIMIVSe4 Family: Atom Response Theory Predictions versus Experimental Results

    Chemistry of Materials · 2023-01-24

    Wen‐Dong Yao, Xiyue Cheng, Sheng‐Ping Guo, Myung‐Hwan Whangbo, Bohan Ding, Shuiquan Deng

    Read original paper ↗ ·

  14. Diffraction and microscopic studies on lithium sulfate doped l-Threonine under dynamic shock wave exposed conditions

    Physica B Condensed Matter · 2023-06-19

    Aswathappa Sivakumar, S. Sahaya Jude Dhas, Lidong Dai, V. Pushpanathan, P. Sivaprakash, Raju Suresh Kumar, Abdulrahman Ibrahim Almansour, Ikhyun Kim, J. Johnson, S. A. Martin Britto Dhas

    Read original paper ↗ ·

  15. Structural and optical studies of single crystals of L-alanine L-alaninium picrate monohydrate under dynamic shock pulse-loaded conditions for photonic applications

    Journal of Molecular Structure · 2024-12-20

    M. Silviya, Sivakumar Aswathappa, L. Sweatha, M. Anithalakshmi, V. Mowlika, Rosa Robert

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  16. Insight into the Origin of Second Harmonic Generation and Rational Design in the Metal Halide Borates

    Inorganic Chemistry · 2025-01-08

    Bohan Ding, Xiyue Cheng, Hanxiang Mi, Juergen Koehler, Qun Yang, Tingting Yang, Shuiquan Deng

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  17. Origin of Pressure-Induced Nonlinear Optical Property Enhancement in CsGeCl 3 Perovskite: [GeCl 6 ] Octahedron Distortion and Band Gap Closing

    Journal of the American Chemical Society · 2025-02-12

    Jia Qu, Yiming Wang, Zhongyang Li, Mingtao Li, Tianyao Pei, Nana Li, Dequan Jiang, Bin Yang, Bing Li, Meiyan Ye, Pinwen Zhu, Yonggang Wang, Gang Liu, Xin Wang, Wenge Yang

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  18. Second-Harmonic Generation Response in Nitridophosphates MP2N4 (M = Ge, Sn, Pb) and the Role of Stereochemically Active Lone Pairs

    Chemistry of Materials · 2025-05-07

    Xiyue Cheng, Victor Trinquet, Bohan Ding, Gian‐Marco Rignanese, Xavier Gonze, Shuiquan Deng

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  19. Origin of Large Second-Harmonic Generation in Nonpolar Molybdenum Tellurite Compounds

    Molecules · 2026-02-26

    Z. F. Li, Xiyue Cheng, Qian Xu, Xiu Wang, Guoliang Liu, Shuiquan Deng

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  20. Atom-Response-Theory-Guided Design of Chiral Niobium Halides with both a Large Nonlinear Coefficient and Strong Chiroptical Nonlinearity

    Nano Letters · 2026-02-27

    Wenting Liu, Xin Zeng, Wenkai Zhao, Haolin Lu, Hebin Wang, X. Q. Li, Zhaoyu Wang, Tianyin Shao, Sehrish Gull, Bing Nan Sun, Hao-Li Zhang, Xinfeng Liu, Yongsheng Chen, Guankui Long

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  21. Halogen Engineering and Orbital Origins of Large Second-Harmonic Generation in Organic–Inorganic Hybrid Metal Halides

    The Journal of Physical Chemistry Letters · 2026-03-26

    Sajid Ali, Xiyue Cheng, Qilu Xu, Sohail Mumtaz, Hanxiang Mi, Tingting Liang, Shuiquan Deng

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  22. Persistent Second‐Harmonic Generation Enhancement Across an Unprecedented Pressure Range in a Hybrid Antimony Halide

    Angewandte Chemie International Edition · 2026-04-01

    Wenbo Qiu, Weilong He, Xingxing Jiang, Yu Liu, Boyang Fu, Weizhao Cai

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  23. Persistent Second‐Harmonic Generation Enhancement Across an Unprecedented Pressure Range in a Hybrid Antimony Halide

    Angewandte Chemie · 2026-04-01

    Wenbo Qiu, Weilong He, Xingxing Jiang, Yu Liu, Boyang Fu, Weizhao Cai

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  24. Accelerating the discovery of athermal deep-ultraviolet nonlinear optical crystals via physics-informed herarchical graph learning

    Optics Express · 2026-04-07

    Meng Shi, Chuwen Tang, Shengping Xu, Jy Zhao

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  25. Dual tuning of second-harmonic generation and Rashba-Dresselhaus spin-splitting in chiral hybrid perovskites via halogen-site engineering

    npj Computational Materials · 2026-06-15

    Qian Xu, Xuli Cheng, Xiyue Cheng, Xiyue Cheng, Xiyue Cheng, Lorenzo Malavasi, Marta Morana, Juan J. Aucar, Muskan Nabi, Gustavo A. Aucar, Shuiquan Deng, Lingyan Feng, Wei Li Ren, Alessandro Stroppa

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  26. Cation-Modulated Activation of Linear Units in an Ordered Arrangement Achieves the Largest Optical Anisotropy in Wide-Bandgap Metal Chalcogenides

    Chemistry of Materials · 2026-09-09

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

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