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Geometries and Electronic Structure of Graphene and Hexagonal BN Superlattices

Published online by Cambridge University Press:  29 February 2012

Yuki Sakai  and
Susumu Saito
Yuki Sakai
Affiliation:
Department of Physics, Tokyo Institute of Technology, 2-12-1 Oh-okayama, Meguro-ku, Tokyo 152-8551, Japan
Susumu Saito
Affiliation:
Department of Physics, Tokyo Institute of Technology, 2-12-1 Oh-okayama, Meguro-ku, Tokyo 152-8551, Japan
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Abstract

Relative stabilities and electronic structure of graphene/h-BN superlattices are discussed in the framework of the density functional theory. Most importantly, relative stabilities between commensurate and incommensurate superlattices are studied. Commensurate graphene/h-BN monolayer superlattices are found to be definitely more stable than incommensurate superlattices. In graphene/h-BN bilayer superlattices, commensurate superlattices are found to be slightly more stable than incommensurate superlattices. Results also imply that a finite pressure can induce transition from an incommensurate superlattice to a commensurate superlattice.

Keywords

layerednanostructurenanoscale
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1407: Symposium AA – Carbon Nanotubes, Graphene and Related Nanostructures , 2012 , mrsf11-1407-aa08-03
Copyright
Copyright © Materials Research Society 2012

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References

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