{
  "id": "1110.0604",
  "version": "v2",
  "published": "2011-10-04T08:38:51.000Z",
  "updated": "2011-11-22T10:36:51.000Z",
  "title": "Role of covalent and metallic intercalation on the electronic properties of epitaxial graphene on SiC(0001)",
  "authors": [
    "I. Deretzis",
    "A. La Magna"
  ],
  "comment": "6 pages, 4 figures, accepted in PRB",
  "journal": "Phys. Rev. B 84, 235426 (2011)",
  "doi": "10.1103/PhysRevB.84.235426",
  "categories": [
    "cond-mat.mes-hall",
    "cond-mat.mtrl-sci"
  ],
  "abstract": "We present an orbital-resolved density functional theory study on the electronic properties of hydrogen and lithium intercalated graphene grown on the Si face of SiC. Starting from the $(6\\sqrt3\\times6\\sqrt3)R30^{\\circ}$ surface reconstruction of the graphene/SiC heterosystem, we find that both H and Li can restore the ideal structural characteristics of the two nonequivalent junction parts (i.e. graphene and the SiC substrate) when inserted at the interface. However, the chemical/electrostatic interactions remain different for the two cases. Hence, H-intercalated epitaxial graphene is subject to a sublattice symmetry-breaking electronic interference that perturbs the Dirac point, whereas Li intercalation gives rise to a highly $n$-doped system due to a nonuniform delocalization of Li charges. Results bring to discussion the role of substrate engineering in epitaxial graphene on SiC.",
  "revisions": [
    {
      "version": "v2",
      "updated": "2011-11-22T10:36:51.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "81.05.ue",
      "73.22.Pr"
    ],
    "keywords": [
      "epitaxial graphene",
      "electronic properties",
      "metallic intercalation",
      "orbital-resolved density functional theory study",
      "lithium intercalated graphene grown"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Physical Review B",
      "year": 2011,
      "month": "Dec",
      "volume": 84,
      "number": 23,
      "pages": 235426
    },
    "note": {
      "typesetting": "TeX",
      "pages": 6,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2011PhRvB..84w5426D"
    }
  }
}