• 文献标题:   Suppression of spin polarization in graphene nanoribbons by edge defects and impurities
  • 文献类型:   Article
  • 作  者:   HUANG B, LIU F, WU J, GU BL, DUAN WH
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Tsinghua Univ
  • 被引频次:   149
  • DOI:   10.1103/PhysRevB.77.153411
  • 出版年:   2008

▎ 摘  要

We investigate the effect of edge defects (vacancies) and impurities (substitutional dopants) on the robustness of spin polarization in graphene nanoribbons (GNRs) with zigzag edges by using density-functional-theory calculations. The stability of the spin state and its magnetic moments is found to continuously decrease with increasing the concentration of the defects or impurities. The system generally becomes nonmagnetic at the concentration of one edge defect (impurity) per similar to 10 angstrom. The spin suppression is shown to be caused by the reduction and removal of edge states at the Fermi energy. Our analysis implies an important criterion on the GNR samples for spintronics applications.