{
  "id": "1101.4600",
  "version": "v1",
  "published": "2011-01-24T17:29:20.000Z",
  "updated": "2011-01-24T17:29:20.000Z",
  "title": "Electrical Control of the Chemical Bonding of Fluorine on Graphene",
  "authors": [
    "J. O. Sofo",
    "A. M. Suarez",
    "Gonzalo Usaj",
    "P. S. Cornaglia",
    "A. D. Hernández-Nieves",
    "C. A. Balseiro"
  ],
  "comment": "4 pages, 4 figures. Accepted in Phys. Rev. B. Rapid Comm",
  "journal": "Phys. Rev. B 83, 081411(R) (2011)",
  "doi": "10.1103/PhysRevB.83.081411",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "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.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2011-01-24T17:29:20.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "73.22.Pr",
      "73.20.Hb",
      "81.05.ue"
    ],
    "keywords": [
      "electrical control",
      "chemical bonding",
      "density functional theory calculations",
      "simple tight binding model",
      "electronic structure corresponds"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Physical Review B",
      "year": 2011,
      "month": "Feb",
      "volume": 83,
      "number": 8,
      "pages": "081411"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 4,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2011PhRvB..83h1411S"
    }
  }
}