Band structure of polymer extracted from oligomer calculations by elongation method and its applications to nanosystems

Anna Pomogaeva, Michael Springborg, Bernard Kirtman, Feng Long Gu, Yuriko Aoki

    研究成果: Chapter in Book/Report/Conference proceedingConference contribution

    1 被引用数 (Scopus)

    抄録

    A method developed for building band structure of polymer from elongation oligomer calculations has been applied for studying electronic structures of nanoscaled periodic systems. Band structures of single-walled (4,4) carbon and boron nitrogen nanotubes have been built at different levels of approximations. This method also has been applied for band structure construction of molecular systems where periodicity is disturbed by presence of local defects.

    本文言語英語
    ホスト出版物のタイトルInternational Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009
    ページ563-566
    ページ数4
    DOI
    出版ステータス出版済み - 2012
    イベントInternational Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009 - Rhodes, ギリシャ
    継続期間: 9 29 200910 4 2009

    出版物シリーズ

    名前AIP Conference Proceedings
    1504
    ISSN(印刷版)0094-243X
    ISSN(電子版)1551-7616

    その他

    その他International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009
    国/地域ギリシャ
    CityRhodes
    Period9/29/0910/4/09

    All Science Journal Classification (ASJC) codes

    • 物理学および天文学(全般)

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