{
  "id": "1801.10379",
  "version": "v1",
  "published": "2018-01-31T09:55:29.000Z",
  "updated": "2018-01-31T09:55:29.000Z",
  "title": "Transmission eigenchannels for coherent phonon transport",
  "authors": [
    "J. C. Klöckner",
    "J. C. Cuevas",
    "F. Pauly"
  ],
  "categories": [
    "cond-mat.mes-hall",
    "cond-mat.mtrl-sci"
  ],
  "abstract": "We present a procedure to determine transmission eigenchannels for coherent phonon transport in nanoscale devices using the framework of nonequilibrium Green's functions. We illustrate our procedure by analyzing a one-dimensional chain, where all steps can be carried out analytically. More importantly, we show how the procedure can be combined with ab initio calculations to provide a better understanding of phonon heat transport in realistic atomic-scale junctions. In particular, we study the phonon eigenchannels in a gold metallic atomic-size contact and different single-molecule junctions based on molecules such as an alkane chain, C$_{60}$, and a brominated benzene-diamine, where in this latter case destructive phonon interference effects take place.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2018-01-31T09:55:29.000Z"
    }
  ],
  "analyses": {
    "keywords": [
      "coherent phonon transport",
      "case destructive phonon interference effects",
      "realistic atomic-scale junctions",
      "nonequilibrium greens functions",
      "gold metallic atomic-size contact"
    ],
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable"
    }
  }
}