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Edge states of zigzag boron nitride nanoribbons

  • Fawei Zheng
  • , Ken Ichi Sasaki
  • , Riichiro Saito*
  • , Wenhui Duan
  • , Bing Lin Gu
  • *此作品的通讯作者
  • Tohoku University
  • Tsinghua University
  • Hiroshima University

科研成果: 期刊稿件文章同行评审

摘要

Tight-binding (TB) calculation for zigzag boron nitride nanoribbons (ZBNNRs) is presented. The TB parameters are obtained so as to reproduce density functional calculation. The analytical expressions of boron (nitrogen) edge states that lie near the bottom (top) of conductance (valence) bands are given. The modification of the potential near the edge is found to be important in explaining the small energy dispersion of the edge states. The energy band gap of ZBNNR decreases with increasing ribbon width, which is explained by the edge potential. We also discuss the half metallicity for ZBNNR by considering the Hubbard-type Coulomb interaction.

源语言英语
文章编号074713
期刊Journal of the Physical Society of Japan
78
7
DOI
出版状态已出版 - 7月 2009
已对外发布

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