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RESEARCH PAPER · Chemistry of Materials · 2025

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

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

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Second-Harmonic Generation Response in Nitridophosphates MP2N4 (M = Ge, Sn, Pb) and the Role of Stereochemically Active Lone PairsOriginalIntroduction of Diverse Divalent Main-Group Metal Cations to Tune the Physical Properties of Rare-Earth Thiophosphates7BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach6Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons12C 6 H 7 NCl·X (X = Cl, Br): Outstanding Multifunctional Nonlinear Optical and Birefringent Crystals Enabled by Incorporation of π‐Conjugated Moieties2Dual tuning of second-harmonic generation and Rashba-Dresselhaus spin-splitting in chiral hybrid perovskites via halogen-site engineering1Mixed‐Valence Engineering in Ge 2+ Chalcogenides: Structural Modulation for Balanced Infrared Nonlinear Optics0

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  1. Introduction of Diverse Divalent Main-Group Metal Cations to Tune the Physical Properties of Rare-Earth Thiophosphates

    Inorganic Chemistry · 2025-07-18

    Zi-Nan Chen, Hai-Ping Xu, Wen‐Dong Yao, Mingyang Li, Chen‐Yi Zhao, Wenlong Liu, Sheng‐Ping Guo

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  2. BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach

    Materials Today Chemistry · 2025-10-25

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

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  3. Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons

    Chemical Science · 2025-11-17

    Jia-Xiang Zhang, A-Lan Xu, Yang Chi, Xin-Tao Wu, Hua Lin, Qi‐Long Zhu

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  4. C 6 H 7 NCl·X (X = Cl, Br): Outstanding Multifunctional Nonlinear Optical and Birefringent Crystals Enabled by Incorporation of π‐Conjugated Moieties

    Advanced Optical Materials · 2026-02-28

    Chuanying Shen, Jiaxi Ding, Zhengao Xie, Kang Yang, Xunwang Yan, Bingbing Zhang, Kui Wu, Jiyang Wang, Duanliang Wang

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  5. 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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  6. Mixed‐Valence Engineering in Ge 2+ Chalcogenides: Structural Modulation for Balanced Infrared Nonlinear Optics

    Advanced Optical Materials · 2026-09-23

    Chunlan Tang, Aoge Yao, Wenhao Xing, Cihai Hong, Jian Tang, Lei Kang, Jiang Huang, Jieyun Wu, Wenlong Yin, Bin Kang

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