{
  "id": "0810.1863",
  "version": "v2",
  "published": "2008-10-10T12:10:28.000Z",
  "updated": "2008-10-14T08:11:50.000Z",
  "title": "Tuning the conductance of molecular junctions: transparent versus tunneling regimes",
  "authors": [
    "J. Ferrer",
    "V. M. Garcia-Suarez"
  ],
  "comment": "9 pages, 7 figures",
  "categories": [
    "cond-mat.mes-hall",
    "cond-mat.mtrl-sci"
  ],
  "abstract": "We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We find that the conductance of all of these junctions is of the order of the conductance quantum unit $G_0$, spelling out that they belong to the transparent regime. We further find that the transmission coefficients show wide plateaus as a function of the energy, instead of the usual sharp resonances that signal the molecular levels in the tunneling regime. We use Caroli's model to show that this is a rather generic property of the transparent regime of a junction, which is driven by a strong effective coupling between the delocalized molecular levels and the conduction channels at the electrodes. We analyse the transmission coefficients and chemical bonding of gold/Benzene and gold/Benzene-dithiolate (BDT) junctions to understand why the later show large resistances, while the former are highly conductive.",
  "revisions": [
    {
      "version": "v2",
      "updated": "2008-10-14T08:11:50.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "73.63.Rt",
      "73.40.-c"
    ],
    "keywords": [
      "molecular junctions",
      "tunneling regime",
      "transmission coefficients",
      "transparent regime",
      "molecular levels"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "doi": "10.1103/PhysRevB.80.085426",
      "journal": "Physical Review B",
      "year": 2009,
      "month": "Aug",
      "volume": 80,
      "number": 8,
      "pages": "085426"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 9,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2009PhRvB..80h5426F"
    }
  }
}