• 文献标题:   Magnetism in disordered graphene and irradiated graphite
  • 文献类型:   Article
  • 作  者:   YAZYEV OV
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW LETTERS
  • ISSN:   0031-9007
  • 通讯作者地址:   Ecole Polytech Fed Lausanne
  • 被引频次:   317
  • DOI:   10.1103/PhysRevLett.101.037203
  • 出版年:   2008

▎ 摘  要

The magnetic properties of disordered graphene and irradiated graphite are systematically studied using a combination of mean-field Hubbard model and first-principles calculations. By considering large-scale disordered models of graphene, I conclude that only single-atom defects can induce ferromagnetism in graphene-based materials. The preserved stacking order of graphene layers is shown to be another necessary condition for achieving a finite net magnetic moment of irradiated graphite. Ab initio calculations of hydrogen binding and diffusion and of interstitial-vacancy recombination further confirm the crucial role of stacking order in pi-electron ferromagnetism of proton-bombarded graphite.