• 文献标题:   Carrier-tunable magnetism of graphene with single-atom vacancy
  • 文献类型:   Article
  • 作  者:   LEI SL, LI B, KAN EJ, HUANG J, LI QX, YANG JL
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-8979
  • 通讯作者地址:   Univ Sci Technol China
  • 被引频次:   5
  • DOI:   10.1063/1.4809562
  • 出版年:   2013

▎ 摘  要

We explore the carrier doping effect on magnetic properties of defective graphene with single-atom vacancy by performing spin-polarized density functional theory calculations. Theoretical results show that both hole and electron dopings can effectively modify the local magnetic moments. Besides, we also demonstrate that hole doping can greatly enhance the magnetic coupling, increasing the critical temperature of magnetism, which is absent in electron doping case. The coupling enhanced mechanism can be well understood by the different variation trends of pz-derived states around the Fermi level under hole doping. Thus, our results provide a practical way to tune the magnetism of defective graphene. (C) 2013 AIP Publishing LLC.