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RESEARCH PAPER · Computational Materials Science · 2019

First-principle study on structural, linear and nonlinear optical properties of selenocyanate complex ZnCd(SeCN)4 crystal

Yue Ma, Qingxiang Song, Jingyi Wang, Yingfeng Li, Xinqiang Wang, Zishen Du, Xuejian Deng, Shah Khalid, Jianwei Zhu, Guiwu Lu

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First-principle study on structural, linear and nonlinear optical properties of selenocyanate complex ZnCd(SeCN)4 crystalOriginalThe effect of Ni/Co-doping on electronic structures and optical properties of cubic Ca2Ge1A first principles study of the surface electronic properties of Mo2C4Two Acentric Zn-Based l -Tartrates with Moderate Second Harmonic Generation Responses and Large Birefringence6Phenyl-urea chromophores: DFT insights into nonlinear optical enhancement7Toward Strong UV–Vis–NIR Second-Harmonic Generation by Dimensionality Engineering of Zinc Thiocyanates32Interstitial TM–P pairing in P 3 -coordinated wide-gap quantum dots: spin-selective insulating states and enhanced hyperpolarizability1

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  1. The effect of Ni/Co-doping on electronic structures and optical properties of cubic Ca2Ge

    Optik · 2021-06-12

    Ruijie Wang, Zean Tian, Qingquan Xiao, Weifu Cen, Quan Zheng

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  2. A first principles study of the surface electronic properties of Mo2C

    Solid State Communications · 2022-06-27

    Hua Xu, Weifu Cen, Zean Tian, Quan Zheng, Tinghong Gao, Yongchao Liang, Quan Xie

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  3. Two Acentric Zn-Based l -Tartrates with Moderate Second Harmonic Generation Responses and Large Birefringence

    Inorganic Chemistry · 2024-03-14

    Ting Yu, Jiahao Wan, Jingye Yang, Xiaokang Luo, Man Xie, Lehui Liu, Hongming Liu

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  4. Phenyl-urea chromophores: DFT insights into nonlinear optical enhancement

    Materials Today Communications · 2024-08-01

    G.S. Gopika Krishnan, Karuvanthodi Muraleedharan

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  5. Toward Strong UV–Vis–NIR Second-Harmonic Generation by Dimensionality Engineering of Zinc Thiocyanates

    Journal of the American Chemical Society · 2024-10-07

    Haijun Zhang, Xingxing Jiang, Yiran Zhang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Jun Xu, Jinhu Yang, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  6. Interstitial TM–P pairing in P 3 -coordinated wide-gap quantum dots: spin-selective insulating states and enhanced hyperpolarizability

    Nanoscale · 2025-12-09

    Saraf Mohaimen Chowdhury, Ishmam Hossain, Mahdy Rahman Chowdhury

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