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Type: Artigo de periódico
Title: Defect-mediated half-metal behavior in zigzag graphene nanoribbons
Author: Oeiras, RY
Araujo-Moreira, FM
da Silva, EZ
Abstract: In this work, we present ab initio studies of the electronic and transport properties of carbon nanoribbons with structural defects: divacancies and divacancies combined with the Stone-Wales-like (SW) defects. Simulations with defects in different positions with respect to the ribbons indicated that the total energy of the ribbon is lower when the defect is at the ribbon edge. This indicates that the relation defect edge is of fundamental importance to find the minimal energy configuration. All ribbons studied in this Brief Report show a high spin polarization in the transmittance, in some cases more than 90%, showing an almost half metal behavior suggesting them as possible candidates to be used as spin filter systems.
Country: EUA
Editor: Amer Physical Soc
Citation: Physical Review B. Amer Physical Soc, v. 80, n. 7, 2009.
Rights: aberto
Identifier DOI: 10.1103/PhysRevB.80.073405
Date Issue: 2009
Appears in Collections:Unicamp - Artigos e Outros Documentos

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