{
  "id": "cond-mat/0512138",
  "version": "v1",
  "published": "2005-12-07T06:38:15.000Z",
  "updated": "2005-12-07T06:38:15.000Z",
  "title": "Electron transport in a Pt-CO-Pt nanocontact: First-principles calculations",
  "authors": [
    "M. Strange",
    "K. S. Thygesen",
    "K. W. Jacobsen"
  ],
  "comment": "8 pages, 7 figures",
  "journal": "Phys. Rev. B 73, 125424 (2006)",
  "doi": "10.1103/PhysRevB.73.125424",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "We have performed first-principles calculations for the mechanic and electric properties of pure Pt nano-contacts and a Pt contact with a single CO molecule adsorbed. For the pure Pt contacts we see a clear difference between point contacts and short chains in good agreement with experiments. We identify a tilted bridge configuration for the Pt-CO-Pt contact, which is stable and has a conductance close to $0.5G_0$ ($G_0=2e^2/h$), and we propose that this structure is responsible for an observed peak at $0.5G_0$ in the conductance histogram for Pt exposed to a CO gas. We explain the main features of the transmission function for the Pt-CO-Pt contact, and show that the conductance is largely determined by the local $d$-band at the Pt apex atoms.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2005-12-07T06:38:15.000Z"
    }
  ],
  "analyses": {
    "keywords": [
      "first-principles calculations",
      "electron transport",
      "pt-co-pt nanocontact",
      "pt-co-pt contact",
      "pure pt nano-contacts"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Phys. Rev. B"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 8,
      "language": "en",
      "license": "arXiv",
      "status": "editable"
    }
  }
}