Electrical Control of the Chemical Bonding of Fluorine on Graphene

Details Electrical Control of the Chemical Bonding of Fluorine on Graphene Electrical Control of the Chemical Bonding of Fluorine on Graphene

2011-01-24

arxiv.org/abs/1101.4600v1

Phys. Rev. B 83, 081411(R) (2011)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

4 pages, 4 figures. Accepted in Phys. Rev. B. Rapid Comm

Scientific paper

10.1103/PhysRevB.83.081411

We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends on carrier doping. In neutral samples the F impurities induce a sp^3-like bonding of the C atom below, generating a local distortion of the hexagonal lattice. As the graphene is electron-doped, the C atom retracts back to the graphene plane and for high doping (10^14 cm^-2) its electronic structure corresponds to a nearly pure sp^2 configuration. We interpret this sp^3-sp^2 doping-induced crossover in terms of a simple tight binding model and discuss the physical consequences of this change.

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