• 文献标题:   Coexistence of Ferromagnetism and Paramagnetism in Graphene with Boron-vacancy Complex
  • 文献类型:   Article
  • 作  者:   RHIM SH
  • 作者关键词:   graphene, magnetism, boron doping
  • 出版物名称:   JOURNAL OF MAGNETICS
  • ISSN:   1226-1750 EI 2233-6656
  • 通讯作者地址:   Univ Ulsan
  • 被引频次:   0
  • DOI:   10.4283/JMAG.2020.25.2.313
  • 出版年:   2020

▎ 摘  要

Defect induced magnetism in a single layer graphene with Boron-vacancy complex is studied using highly precise ab initio full-potential linearized augmented plane wave (FLAPW) method. From energetics, it is most stable when Boron and vacancy are the nearest neighbor. Furthermore, we propose both paramagnetic and magnetic states, with negligible energy difference, can coexist in defected graphene. The k resolved band structure reveals that the magnetism is mainly from different occupation of very localized impurity bands. Moreover, calculated STM image associated with defect is presented to provide some hint in experimental verifications.