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The role of size in spin properties of zigzag graphene nanoribbon

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Abstract

The effects of ribbon size on the spin properties of zigzag graphene nanoribbon (ZGNR) with and without edge pentagon-heptagon reconstruction are investigated using spin-polarized density functional theory. It is found that when ribbon width is less than 26.31 Å, the Coulomb and RKKY-like interaction between two ribbon-edges result in the edge state splitting. For a wider ZGNR, the interedge coupling is negligible. In addition to stabilizing the system and weakening the interedge coupling, the edge pentagon-heptagon reconstruction could demagnetize the ZGNR. In perfect and single-edge reconstructed ZGNR, the magnetic moment depends on ribbon width, and the change of magnetic moment becomes inconspicuous with increasing ribbon width. Double-edge reconstructed ZGNR shows nonmagnetic. It may be useful for fabricating graphene-based nanoelectronic and spintronic devices.

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Authors and Affiliations

  1. College of Physics and Information Engineering, Henan Normal University, Xinxiang, Henan, 453007, P.R. China

    J. H. Zhao, X. Q. Dai, B. Zhao, Y. W. Dai & X. Zhao

  2. Department of Physics Zhengzhou Teachers College, Zhengzhou, Henan, 450044, P.R. China

    X. Q. Dai

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  1. J. H. Zhao
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  2. X. Q. Dai
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  3. B. Zhao
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  4. Y. W. Dai
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Correspondence to X. Q. Dai.

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Zhao, J.H., Dai, X.Q., Zhao, B. et al. The role of size in spin properties of zigzag graphene nanoribbon. Eur. Phys. J. B 85, 220 (2012). https://doi.org/10.1140/epjb/e2012-30077-3

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  • DOI: https://doi.org/10.1140/epjb/e2012-30077-3

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