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    題名: Evidence of"new hot spots"from determining the nonlinear optical behavior of materials:mechanistic studies of the vanadium borate crystal,Na3VO2B6O11
    作者: Xin Su;Zhihua Yang;Ming-Hsien Lee;Shilie Pan;Ying Wang;Xiaoyun Fan;Zhenjun Huang;Bingbing Zhang
    日期: 2015-02-21
    上傳時間: 2016-01-06 11:04:40 (UTC+8)
    摘要: A novel mechanism for the nonlinear optical (NLO) effects of vanadium borate crystals, Na3VO2B6O11 (NVB), with distorted VO4 groups was investigated. A comprehensive analysis of the structure-property relationship was performed by combining the experimental measurements, the electronic structures calculations, the SHG-weighted electron density and the real-space atom-contribution analysis to yield the linear and nonlinear optical properties. The contribution of a (VO4)(3-) anionic group to the second harmonic generation (SHG) response was more pronounced than that of the (BO3)(3-) anionic group, which plays a virtual role in the SHG effects in NVB. The anionic (BO3)(3-) groups make dominant contributions to the birefringence, whereas the contribution of the V(5+) cations to these linear optical effects is negligible
    關聯: Physical Chemistry Chemical Physics 17(7), pp.5338-5344
    DOI: 10.1039/c4cp04248d
    顯示於類別:[物理學系暨研究所] 期刊論文

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