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    题名: The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation
    作者: Qiaoqiao Zhang;Hahaer Mushahali;Haiming Duan;Ming-Hsien Lee;Qun Jing
    关键词: IR NLO compounds;Finite field method;Birefringence;Born effective charges
    日期: 2019-02
    上传时间: 2019-09-21 12:10:34 (UTC+8)
    出版者: Elsevier
    摘要: In this paper, the linear and second order nonlinear optical properties of CsGeX3 (X = Cl, Br, and I) compounds have been investigated using the finite field method combined with the density functional investigation. The obtained results are in good agreement with the experimental values. The electron density distribution nearby the fermi level is the lobe-like lone pair electrons which make the germanium-halogen polyhedron distorted. The atomic contribution to the birefringence and SHG response is analyzed using the Born effective charges, the variation of the atomic charges, and the SHG density method. The results show that the germanium and halogen atoms give main contribution to the optical anisotropic birefringence and the SHG response.
    關聯: Optik 179, p.89–98
    DOI: 10.1016/j.ijleo.2018.10.159
    显示于类别:[物理學系暨研究所] 期刊論文

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