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    Title: Mechanism for linear and nonlinear optical effects in monoclinic bismuth borate (BiB3O6) crystal
    Authors: Lin, Zhe-shuai;Wang, Zhi-zhong;Chen, Chuang-tian;李明憲;Lee, Ming-hsie
    Contributors: 淡江大學物理學系
    Date: 2001-12
    Issue Date: 2009-12-31 10:19:57 (UTC+8)
    Publisher: American Institute of Physics (AIP)
    Abstract: Electronic structure calculations of BiB3O6 crystal from first principles are performed based on a plane-wave pseudopotential method. The linear refractive indices and the static second-harmonic generation ~SHG! coefficients are also calculated by the SHG formula improved by our group. The calculated values are in good agreement with the experimental values. A real-space atom-cutting method is adopted to analyze the respective contributions of the cation and anionic groups to the optical response. The results show that the contribution of the (BiO4)52 anionic group to the SHG coefficients is more pronounced than that of the (BO3)32 and (BO4)52 groups.
    Relation: Journal of Applied Physics 90(11), pp.5585-5590
    DOI: 10.1063/1.1413711
    Appears in Collections:[物理學系暨研究所] 期刊論文

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