• 文献标题:   The role of size in spin properties of zigzag graphene nanoribbon
  • 文献类型:   Article
  • 作  者:   ZHAO JH, DAI XQ, ZHAO B, DAI YW, ZHAO X
  • 作者关键词:  
  • 出版物名称:   EUROPEAN PHYSICAL JOURNAL B
  • ISSN:   1434-6028 EI 1434-6036
  • 通讯作者地址:   Henan Normal Univ
  • 被引频次:   2
  • DOI:   10.1140/epjb/e2012-30077-3
  • 出版年:   2012

▎ 摘  要

The effects of ribbon size on the spin properties of zigzag graphene nanoribbon (ZGNR) with and without edge pentagon-heptagon reconstruction are investigated using spin-polarized density functional theory. It is found that when ribbon width is less than 26.31 angstrom, the Coulomb and RKKY-like interaction between two ribbon-edges result in the edge state splitting. For a wider ZGNR, the interedge coupling is negligible. In addition to stabilizing the system and weakening the interedge coupling, the edge pentagon-heptagon reconstruction could demagnetize the ZGNR. In perfect and single-edge reconstructed ZGNR, the magnetic moment depends on ribbon width, and the change of magnetic moment becomes inconspicuous with increasing ribbon width. Double-edge reconstructed ZGNR shows nonmagnetic. It may be useful for fabricating graphene-based nanoelectronic and spintronic devices.