{
  "id": "1407.3186",
  "version": "v1",
  "published": "2014-07-11T14:59:00.000Z",
  "updated": "2014-07-11T14:59:00.000Z",
  "title": "The atomic structure of the $\\sqrt{3} \\times \\sqrt{3}$ phase of silicene on Ag(111)",
  "authors": [
    "Seymur Cahangirov",
    "Veli Ongun Özçelik",
    "Lede Xian",
    "Jose Avila",
    "Suyeon Cho",
    "María C. Asensio",
    "Salim Ciraci",
    "Angel Rubio"
  ],
  "journal": "Phys. Rev. B 90, 035448 (2014)",
  "doi": "10.1103/PhysRevB.90.035448",
  "categories": [
    "cond-mat.mes-hall",
    "physics.comp-ph"
  ],
  "abstract": "The growth of the $\\sqrt{3} \\times \\sqrt{3}$ reconstructed silicene on Ag substrate has been frequently observed in experiments while its atomic structure and formation mechanism is poorly understood. Here by first-principles calculations we show that $\\sqrt{3} \\times \\sqrt{3}$ reconstructed silicene is constituted by dumbbell units of Si atoms arranged in a honeycomb pattern. Our model shows excellent agreement with the experimentally reported lattice constant and STM image. We propose a new mechanism for explaining the spontaneous and consequential formation of $\\sqrt{3} \\times \\sqrt{3}$ structures from $3 \\times 3$ structures on Ag substrate. We show that the $\\sqrt{3} \\times \\sqrt{3}$ reconstruction is mainly determined by the interaction between Si atoms and have weak influence from Ag substrate. The proposed mechanism opens the path to understanding of multilayer silicon.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2014-07-11T14:59:00.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "68.65.Ac",
      "73.61.Ey",
      "81.05.Dz"
    ],
    "keywords": [
      "atomic structure",
      "ag substrate",
      "si atoms",
      "reconstructed silicene",
      "first-principles calculations"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Physical Review B",
      "year": 2014,
      "month": "Jul",
      "volume": 90,
      "number": 3,
      "pages": "035448"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2014PhRvB..90c5448C"
    }
  }
}