• 文献标题:   sigma- and pi-defects at graphene nanoribbon edges: Building spin filters
  • 文献类型:   Article
  • 作  者:   MARTINS TB, DA SILVA AJR, MIWA RH, FAZZIO A
  • 作者关键词:  
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:   Univ Sao Paulo
  • 被引频次:   85
  • DOI:   10.1021/nl800991j
  • 出版年:   2008

▎ 摘  要

The presence of certain kinds of defects at the edges of monohydrogenated zigzag graphene nanoribbons changes dramatically the charge transport properties inducing a spin-polarized conductance. Using an approach based on density functional theory and nonequilibrium Green's function formalism to calculate the transmittance, we classify the defects in different classes depending on their distinct transport properties: (i) sigma-defects, which do not affect the transmittance close to the Fermi energy (E-F); and (ii) pi-defects, which cause a spin polarization of the transmittance and that can be further divided into either electron or hole defects if the spin transport polarization results in larger transmittance for the up or down spin channel, respectively.