• 文献标题:   Competing magnetism in pi-electrons in graphene with a single carbon vacancy
  • 文献类型:   Article
  • 作  者:   LEE CC, YAMADATAKAMURA Y, OZAKI T
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121 EI 1550-235X
  • 通讯作者地址:   Japan Adv Inst Sci Technol
  • 被引频次:   15
  • DOI:   10.1103/PhysRevB.90.014401
  • 出版年:   2014

▎ 摘  要

One intriguing finding in graphene is the vacancy-induced magnetism that highlights the interesting interaction between local magnetic moments and conduction electrons. Within density functional theory, the current understanding of the ground state is that a Stoner instability gives rise to ferromagnetism of pi-electrons aligned with the localized moment of a sigma dangling bond and the induced pi magnetic moments vanish at low vacancy concentrations. However, the observed Kondo effect suggests that pi-electrons around the vacancy should antiferromagnetically couple to the local moment and should carry nonvanishing moments. Here we propose that a phase possessing both significant out-of-plane displacements and pi bands with antiferromagnetic coupling to the localized sigma moment is the ground state. With the features we provide, it is possible for spin-resolved scanning tunneling microscopy, scanning tunneling spectroscopy, and angle-resolved photoelectron spectroscopy measurements to verify the proposed phase.