淡江大學機構典藏:Item 987654321/27973
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    题名: Mechanism of linear and non-linear optical effects in KBe2BO3F2 (KBBF) Crystal
    作者: Lin, Zhe-shuai;Wang, Zhiz-hong;Chen, Chuang-tien;陳冠雄;Chen, Shyong K.;李明憲;Lee, Ming-hsien
    贡献者: 淡江大學物理學系
    日期: 2003-01-10
    上传时间: 2009-12-31 10:56:26 (UTC+8)
    出版者: Elsevier
    摘要: Electronic structure calculations of KBe2BO3F2 crystal from first principles have been performed based on a plane-wave pseudopotential method for the first time. Its optical linear and second harmonic generation (SHG) coefficients are also calculated. The SHG coefficient measured early was much higher than that of our calculation, however, recent experiment confirms our calculated results. Moreover, a real-space atom-cutting method is adopted to analyze the respective contributions of the cation and anionic group to optical response. The results show that the contributions to the SHG coefficients from the (BO3)3− and (BeFO3)5− groups are dominant and comparable.
    關聯: Chemical Physics Letters 367(5-6), pp.523-527
    DOI: 10.1016/S0009-2614(02)01728-1
    显示于类别:[物理學系暨研究所] 期刊論文

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