• 文献标题:   Switching on magnetism in Ni-doped graphene: Density functional calculations
  • 文献类型:   Article
  • 作  者:   SANTOS EJG, AYUELA A, FAGAN SB, MENDES J, AZEVEDO DL, SOUZA AG, SANCHEZPORTAL D
  • 作者关键词:   carbon, density functional theory, doping, magnetic anisotropy, magnetic moment, magnetic transition, magnetoelectronic, nanostructured material, nickel
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Univ Basque Country
  • 被引频次:   77
  • DOI:   10.1103/PhysRevB.78.195420
  • 出版年:   2008

▎ 摘  要

Magnetic properties of graphenic carbon nanostructures, which are relevant for future spintronic applications, depend crucially on doping and on the presence of defects. In this paper we study the magnetism of the recently detected substitutional Ni (Ni-sub) impurities. Ni-sub defects are nonmagnetic in flat graphene and develop a nonzero-spin moment only in metallic nanotubes. This surprising behavior stems from the peculiar curvature dependence of the electronic structure of Ni-sub. A similar magnetic-nonmagnetic transition of Ni-sub can be expected by applying anisotropic strain to a flat graphene layer.