• 文献标题:   Magnetic properties and diffusion of adatoms on a graphene sheet
  • 文献类型:   Article
  • 作  者:   LEHTINEN PO, FOSTER AS, AYUELA A, KRASHENINNIKOV A, NORDLUND K, NIEMINEN RM
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW LETTERS
  • ISSN:   0031-9007
  • 通讯作者地址:   Aalto Univ
  • 被引频次:   365
  • DOI:   10.1103/PhysRevLett.91.017202
  • 出版年:   2003

▎ 摘  要

We use ab initio methods to calculate the properties of adatom defects on a graphite surface. By applying a full spin-polarized description to the system we demonstrate that these defects have a magnetic moment of about 0.5mu(B) and also calculate its role in diffusion over the surface. The magnetic nature of these intrinsic carbon defects suggests that it is important to understand their role in the recently observed magnetism in pure carbon systems.