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    題名: Calculations for the linear and nonlinear optical coefficients of NaNO2 crystal
    其他題名: NaNO2晶體線性和非線性光學系數的計算
    作者: Lin, Z. S.;Wang, Z. Z.;Chen, C. T.;李明憲;Lee, M. H.
    貢獻者: 淡江大學物理學系
    關鍵詞: electronic structure;nonlinear optics;ab initio- calculation
    日期: 2001-06
    上傳時間: 2009-12-31 10:54:04 (UTC+8)
    出版者: 中國物理學會 ; 中國科學物理研究所
    摘要: Based on a plane-wave pseudopotential method,the electronic structure calculations of NaNO2 from first principles are perforined.The linear refractive indices and the static second-harmonic generation (SHG) coefficients are also calculated by the SHG formula improved by us.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 optical response.The results show that the contribution of the (NO2)- anionic group to the birefringence and the SHG coefficients is dominated in NaNO2 crystal,which is in agreement with the result obtained by the anionic group model.
    關聯: 物理學報=Acta physica sinica 50(6), pp.1145-1149
    顯示於類別:[物理學系暨研究所] 期刊論文


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