https://doi.org/10.1140/epjb/e2012-30077-3
Regular Article
The role of size in spin properties of zigzag graphene nanoribbon
1 College of Physics and Information Engineering, Henan Normal University, Xinxiang, Henan 453007, P.R. China
2 Department of Physics Zhengzhou Teachers College, Zhengzhou, Henan 450044, P.R. China
a
e-mail: xqdai@henannu.edu.cn
Received: 1 February 2012
Received in final form: 30 April 2012
Published online: 25 June 2012
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.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag, 2012
