淡江大學機構典藏:Item 987654321/117076
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    Title: The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation
    Authors: Qiaoqiao Zhang;Hahaer Mushahali;Haiming Duan;Ming-Hsien Lee;Qun Jing
    Keywords: IR NLO compounds;Finite field method;Birefringence;Born effective charges
    Date: 2019-02
    Issue Date: 2019-09-21 12:10:34 (UTC+8)
    Publisher: Elsevier
    Abstract: 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.
    Relation: Optik 179, p.89–98
    DOI: 10.1016/j.ijleo.2018.10.159
    Appears in Collections:[Graduate Institute & Department of Physics] Journal Article

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