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Deutsche Physikalische Gessellschaft IOP Institute of Physics

Remarks on the tight-binding model of graphene

Focus on Graphene

Cristina Bena1,2,3 and Gilles Montambaux1

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Part of Focus on Graphene

We address a simple but fundamental issue arising in the study of graphene, as well as of other systems that have a crystalline structure with more than one atom per unit cell. For these systems, the choice of the tight-binding basis is not unique. For monolayer graphene two bases are widely used in the literature. While the expectation values of operators describing physical quantities should be independent of basis, the form of the operators may depend on the basis, especially in the presence of disorder or of an applied magnetic field. Using an inappropriate form of certain operators may lead to erroneous physical predictions. We discuss the two bases used to describe monolayer graphene, as well as the form of the most commonly used operators in the two bases. We repeat our analysis for the case of bilayer graphene.


PACS

61.48.-c Structure of fullerenes and related hollow molecular clusters

71.15.Ap Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)

73.22.-f Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals

Subjects

Condensed matter: electrical, magnetic and optical

Nanoscale science and low-D systems

Condensed matter: structural, mechanical & thermal

Dates

Issue 9 (September 2009)

Received 18 February 2009

Published 30 September 2009



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