• 文献标题:   Fluorinated monovacancies in graphene: Even-odd effect
  • 文献类型:   Article
  • 作  者:   KALONI TP, CHENG YC, SCHWINGENSCHLOGL U
  • 作者关键词:  
  • 出版物名称:   EPL
  • ISSN:   0295-5075 EI 1286-4854
  • 通讯作者地址:   KAUST
  • 被引频次:   13
  • DOI:   10.1209/0295-5075/100/37003
  • 出版年:   2012

▎ 摘  要

The electronic and structural properties of fluorinated monovacancies in graphene are studied using density functional theory. Our calculations show that an odd number of F atoms adsorbed on a monovacancy gives rise to a p-type metallic state with a local magnetic moment of 1 mu(B). In contrast, an even number of F atoms leads to a non-magnetic semiconducting state. We explain the behaviour in terms of local structure properties. Copyright (C) EPLA, 2012