• 文献标题:   Electronic and magnetic properties of zigzag edge graphene nanoribbons with Stone-Wales defects
  • 文献类型:   Article
  • 作  者:   LU P, ZHANG ZH, GUO WL
  • 作者关键词:   graphene nanoribbon, defect, magnetic moment, energy gap
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601
  • 通讯作者地址:   Nanjing Univ Aeronaut Astronaut
  • 被引频次:   38
  • DOI:   10.1016/j.physleta.2009.07.031
  • 出版年:   2009

▎ 摘  要

The electronic and magnetic properties of zigzag graphene nanoribbons (ZGNRs) with Stone-Wales defects are studied by extensive first-principles calculations. It is shown that the asymmetry distribution of the Stone-Wales defects can induce finite magnetic moment in the defective ZGNRs. As the defect near one of the ribbon edges moving to the centre region, the magnetic moment of the defective ZGNRs gradually decreases to zero, following a transition from metal to semi-half-metal and eventually to semiconductor. In addition, by symmetrically placing an additional defect at the opposite side of the defective ZGNRs, the finite magnetic moment vanishes, and the electronic properties depend on the distance between the defect and the closer ribbon edge. These findings are robust within a wide range of defect concentration. (C) 2009 Elsevier B.V. All rights reserved.