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    National Tsing Hua University Institutional Repository > 電機資訊學院 > 電機工程學系 > 期刊論文 >  Tight-binding calculation with up to the 3rd nearest neighbor coupling for small-radius carbon nanotubes


    Please use this identifier to cite or link to this item: http://nthur.lib.nthu.edu.tw/dspace/handle/987654321/83477


    Title: Tight-binding calculation with up to the 3rd nearest neighbor coupling for small-radius carbon nanotubes
    Authors: Wei-Yang Lo;George Y.-S. Wu
    教師: 吳玉書
    Date: 2010
    Publisher: Elsevier
    Relation: Physica E: Low-dimensional Systems and Nanostructures, Elsevier, Volume 43, Issue 1, November 2010, Pages 482–486
    Keywords: Tight-binding calculation
    small-radius
    carbon
    nanotubes
    Abstract: We present the empirical tight-binding calculation of band structures of small-radius single-walled carbon nanotubes (SWCNTs). It incorporates the curvature effect as well as the electronic hopping up to the 3rd nearest neighbor and, as a result, closes the discrepancy between previous tight-binding calculations and first-principle studies. The calculation produces a non-monotonous variation of band gaps, where the gap increases initially and then decreases, when the tube radius decreases. In particular, in the zigzag (6, 0) case, it yields a vanishing band gap. We conclude that the inclusion of the 3rd nearest neighbor hopping is of paramount importance in the tight-binding calculation of small-radius SWCNTs.
    Relation Link: http://www.elsevier.com/
    URI: http://nthur.lib.nthu.edu.tw/dspace/handle/987654321/83477
    Appears in Collections:[電機工程學系] 期刊論文
    [電子工程研究所] 期刊論文
    [物理系] 期刊論文

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