{
  "id": "0911.5712",
  "version": "v1",
  "published": "2009-11-30T19:18:11.000Z",
  "updated": "2009-11-30T19:18:11.000Z",
  "title": "Complex evolution of the electronic structure from polycrystalline to monocrystalline graphene: generation of a new Dirac point",
  "authors": [
    "Joice da Silva Araujo",
    "R. W. Nunes"
  ],
  "comment": "4 pages (+ a few references on 5th page). Contains text (.tex) file + 4 figures + pdf file",
  "categories": [
    "cond-mat.mes-hall",
    "cond-mat.mtrl-sci"
  ],
  "abstract": "First principles calculations, employed to address the properties of polycrystalline graphene, indicate that the electronic structure of tilt grain boundaries in this system displays a rather complex evolution towards graphene bulk, as the tilt angle decreases, with the generation of a new Dirac point at the Fermi level, and an anisotropic Dirac cone of low energy excitations. Moreover, the usual Dirac point at the {\\bf K} point falls below the Fermi level, and rises towards it as the tilt angle decreases. Further, our calculations indicate that the grain-boundary formation energy behaves non-monotonically with the tilt angle, due to a change in the the spatial distribution and relative contributions of the bond-stretching and bond-bending deformations associated with the formation of the defect.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2009-11-30T19:18:11.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "73.22.-f",
      "68.65.-k"
    ],
    "keywords": [
      "dirac point",
      "electronic structure",
      "complex evolution",
      "monocrystalline graphene",
      "formation energy behaves"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "doi": "10.1103/PhysRevB.81.073408",
      "journal": "Physical Review B",
      "year": 2010,
      "month": "Feb",
      "volume": 81,
      "number": 7,
      "pages": "073408"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 4,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2010PhRvB..81g3408D"
    }
  }
}