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arxiv: cond-mat/0612236 · v3 · submitted 2006-12-10 · ❄️ cond-mat.mtrl-sci · cond-mat.str-el

Ab Initio Theory of Gate Induced Gaps in Graphene Bilayers

classification ❄️ cond-mat.mtrl-sci cond-mat.str-el
keywords gateinitiobilayerscalculationsgrapheneinducedtextittheory
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We study the gate voltage induced gap that occurs in graphene bilayers using \textit{ab initio} density functional theory. Our calculations confirm the qualitative picture suggested by phenomenological tight-binding and continuum models. We discuss enhanced screening of the external interlayer potential at small gate voltages, which is more pronounced in the \textit{ab initio} calculations, and quantify the role of crystalline inhomogeneity using a tight-binding model self-consistent Hartree calculation.

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