• 文献标题:   Spin Polarized Conductance in Hybrid Graphene Nanoribbons Using 5-7 Defects
  • 文献类型:   Article
  • 作  者:   BOTELLOMENDEZ AR, CRUZSILVA E, LOPEZURIAS F, SUMPTER BG, MEUNIER V, TERRONES M, TERRONES H
  • 作者关键词:   graphene, nanoribbon, magnetism, quantum transport, half metallicity, ab initio
  • 出版物名称:   ACS NANO
  • ISSN:   1936-0851 EI 1936-086X
  • 通讯作者地址:   IPICYT
  • 被引频次:   50
  • DOI:   10.1021/nn900614x
  • 出版年:   2009

▎ 摘  要

We present a class of intramolecular graphene heterojunctions and use first-principles density functional calculations to describe their electronic, magnetic, and transport properties. The hybrid graphene and hybrid graphene nanoribbons have both armchair and zigzag features that are separated by an interface made up of pentagonal and heptagonal carbon rings. Contrary to conventional graphene sheets, the computed electronic density of states indicates that all hybrid graphene and nanoribbon systems are metallic. Hybrid nanoribbons are found to exhibit a remarkable width-dependent magnetic behavior and behave as spin polarized conductors.