{
  "id": "0911.1718",
  "version": "v2",
  "published": "2009-11-09T16:10:41.000Z",
  "updated": "2010-04-08T06:49:25.000Z",
  "title": "Time-dependent quantum transport with superconducting leads: a discrete basis Kohn-Sham formulation and propagation scheme",
  "authors": [
    "Gianluca Stefanucci",
    "Enrico Perfetto",
    "Michele Cini"
  ],
  "comment": "20 pages, 9 figures, published version",
  "journal": "Phys. Rev. B 81, 115446 (2010)",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "In this work we put forward an exact one-particle framework to study nano-scale Josephson junctions out of equilibrium and propose a propagation scheme to calculate the time-dependent current in response to an external applied bias. Using a discrete basis set and Peierls phases for the electromagnetic field we prove that the current and pairing densities in a superconducting system of interacting electrons can be reproduced in a non-interacting Kohn-Sham (KS) system under the influence of different Peierls phases {\\em and} of a pairing field. An extended Keldysh formalism for the non-equilibrium Nambu-Green's function (NEGF) is then introduced to calculate the short- and long-time response of the KS system. The equivalence between the NEGF approach and a combination of the static and time-dependent Bogoliubov-deGennes (BdG) equations is shown. For systems consisting of a finite region coupled to ${\\cal N}$ superconducting semi-infinite leads we numerically solve the static BdG equations with a generalized wave-guide approach and their time-dependent version with an embedded Crank-Nicholson scheme. To demonstrate the feasibility of the propagation scheme we study two paradigmatic models, the single-level quantum dot and a tight-binding chain, under dc, ac and pulse biases. We provide a time-dependent picture of single and multiple Andreev reflections, show that Andreev bound states can be exploited to generate a zero-bias ac current of tunable frequency, and find a long-living resonant effect induced by microwave irradiation of appropriate frequency.",
  "revisions": [
    {
      "version": "v2",
      "updated": "2010-04-08T06:49:25.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "72.10.Bg",
      "73.63.-b",
      "85.25.Cp"
    ],
    "keywords": [
      "discrete basis kohn-sham formulation",
      "propagation scheme",
      "time-dependent quantum transport",
      "study nano-scale josephson junctions",
      "superconducting"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Physical Review B",
      "doi": "10.1103/PhysRevB.81.115446",
      "year": 2010,
      "month": "Mar",
      "volume": 81,
      "number": 11,
      "pages": 115446
    },
    "note": {
      "typesetting": "TeX",
      "pages": 20,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2010PhRvB..81k5446S"
    }
  }
}