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    題名: BaV2O6‧H2O: A nonlinear optical crystal with a large bandgap
    作者: Wenqiang Chen;Wenyao Zhang;Ming-Hsien Lee;Qun Jinga;Xuefang Lua;Zhaohui Chen
    關鍵詞: Vanadate;Large bandgap;Nonlinear optical material;Hydrothermal method
    日期: 2019-02
    上傳時間: 2019-09-21 12:10:26 (UTC+8)
    出版者: Elsevier
    摘要: The first Ba-containing hydrated vanadate as nonlinear optical (NLO) material, BaV2O6·H2O, was synthesized by facile hydrothermal method. The single-crystal X-ray diffraction result shows that this compound crystallizes in the acentric orthorhombic space group of P212121 with cell parameters a = 7.3993(6) Å, b = 8.9934(7) Å, and c = 9.7206(8) Å. UV–vis-IR diffuse reflectance spectrum shows that the compound has a large bandgap of 4.60 eV and moderate transparency range. The title compound shows second-harmonic generation (SHG) efficiency about 0.5 times of KH2PO4 (KDP). The structure-property relationship of BaV2O6·H2O was clarified by the first-principles studies.
    關聯: Optical materials 88, p.642-647
    DOI: 10.1016/j.optmat.2018.12.043
    顯示於類別:[物理學系暨研究所] 期刊論文

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