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arxiv: 0903.1702 · v2 · submitted 2009-03-10 · ❄️ cond-mat.mtrl-sci · cond-mat.mes-hall

Comment on "Band structure engineering of graphene by strain: First-principles calculations"

classification ❄️ cond-mat.mtrl-sci cond-mat.mes-hall
keywords bandgraphenecalculationsfirst-principlesstraincommentgapsstructure
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In their first-principles calculations of the electronic band structure of graphene under uniaxial strain, Gui, Li, and Zhong [Phys. Rev. B \textbf{78}, 075435 (2008)] have found opening of band gaps at the Fermi level. This finding is in conflict with the tight-binding description of graphene which is closed gap for small strains. In this Comment, we present first-principles calculations which refute the claim that strain opens band gaps in graphene.

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