σ- and π-Defects at Graphene Nanoribbon Edges: Building Spin Filters

Thiago B. Martins†, Antonio J. R. da Silva†, Roberto H. Miwa‡ and Adalberto Fazzio*†§
Instituto de Fsica, Universidade de So Paulo, CP 66318, 05315-970, So Paulo, SP, Brazil, Instituto de Fsica, Universidade Federal de Uberlndia, CP 593, 38400-902, Uberlndia, MG, Brazil, and CCNH, Universidade Federal do ABC, 09210-270 Santo Andre, SP, Brazil
Nano Lett., 2008, 8 (8), pp 2293–2298
DOI: 10.1021/nl800991j
Publication Date (Web): July 23, 2008
Copyright © 2008 American Chemical Society
†

Universidade de So Paulo.

,
‡

Universidade Federal de Uberlndia.

,
* To whom correspondence should be addressed. E-mail: fazzio@if.usp.br.
,
§

Universidade Federal do ABC.

Abstract

Abstract Image

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) σ-defects, which do not affect the transmittance close to the Fermi energy (EF); and (ii) π-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.

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History

  • Published In Issue August 13, 2008
  • Article ASAPJuly 23, 2008
  • Received: April 7, 2008
    Revised: May 16, 2008

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