Electronic Structure of Corrugated Graphene Sheet

We study the geometries, energetics, and electronic structures of free-standing graphene with long range structural undulations. Our calculations, which are based on density functional theory, show that the energy cost to induce the structural corrugation is about a few tens of meV per C atom which...

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Bibliographic Details
Published in:Japanese Journal of Applied Physics 2012-02, Vol.51 (2), p.02BN05-02BN05-6
Main Authors: Okada, Susumu, Kawai, Takazumi
Format: Article
Language:English
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Summary:We study the geometries, energetics, and electronic structures of free-standing graphene with long range structural undulations. Our calculations, which are based on density functional theory, show that the energy cost to induce the structural corrugation is about a few tens of meV per C atom which is similar to the total energy of the C atoms in carbon nanotubes. Our tight-binding molecular dynamics simulations confirmed that graphene exhibits long-range structural undulation at temperatures above 400 K. Moreover, our detailed analysis of the electronic energy band near the Fermi level shows that the linear dispersion band is sensitive to these structural undulations, which leads to semiconducting properties with an energy gap of a few meV.
ISSN:0021-4922
1347-4065
DOI:10.1143/JJAP.51.02BN05