Ab Initio Theory of Gate Induced Gaps in Graphene Bilayers

Details Ab Initio Theory of Gate Induced Gaps in Graphene Bilayers Ab Initio Theory of Gate Induced Gaps in Graphene Bilayers

2006-12-10

arxiv.org/abs/cond-mat/0612236v3

Phys. Rev. B 75, 155115 (2007)

Physics

Condensed Matter

Materials Science

7 pages, 7 figures; the effect of r3 coupling included; typo corrected

Scientific paper

10.1103/PhysRevB.75.155115

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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