• 文献标题:   Hydrogen saturation stabilizes vacancy-induced ferromagnetic ordering in graphene
  • 文献类型:   Article
  • 作  者:   LI WF, ZHAO MW, ZHAO XA, XIA YY, MU YG
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076
  • 通讯作者地址:   Shandong Univ
  • 被引频次:   24
  • DOI:   10.1039/c003524f
  • 出版年:   2010

▎ 摘  要

Density functional theory calculations are performed to explore vacancy-induced magnetism in graphene. The hydrogen saturation not only stabilizes the vacancy structure but also induces distinct magnetic coupling depending on the defect distribution: weak magnetic coupling between defects on different sublattices and strong coupling between defects on the same sublattice. Ferromagnetic ordering has to be accompanied with a semiconducting property. The interaction integral J between defective spins decreases linearly with the increase of the distance between them. Based on the 2D Ising model and Monte Carlo simulations, the possible highest Curie temperature T-c of defective graphene is predicted to be lower than 500 K.