{
  "id": "1301.2933",
  "version": "v3",
  "published": "2013-01-14T12:03:24.000Z",
  "updated": "2013-12-13T13:54:59.000Z",
  "title": "Theoretical investigation of spin-filtering in CrAs / GaAs heterostructures",
  "authors": [
    "B. A. Stickler",
    "C. Ertler",
    "W. Pötz",
    "L. Chioncel"
  ],
  "comment": "published in JAP, Vol.114, Issue 22",
  "doi": "10.1063/1.4841075",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "The electronic structure of bulk fcc GaAs, fcc and tetragonal CrAs, and CrAs/GaAs supercells, computed within LMTO local spin-density functional theory, is used to extract the band alignment (band offset) for the [1,0,0] GaAs/CrAs interface in dependence of the spin orientation. With the lateral lattice constant fixed to the experimental bulk GaAs value, a local energy minimum is found for a tetragonal CrAs unit cell with a slightly ($\\approx$ 2%) reduced longitudinal ([1,0,0]) lattice constant. Due to the identified spin-dependent band alignment, half-metallicity of CrAs no longer is a key requirement for spin-filtering. Encouraged by these findings, we study the spin-dependent tunneling current in [1,0,0] GaAs/CrAs/GaAs heterostructures within the non-equilibrium Green's function approach for an effective tight-binding Hamiltonian derived from the LMTO electronic structure. Results indicate that these heterostructures are probable candidates for efficient room-temperature all-semiconductor spin-filtering devices.",
  "revisions": [
    {
      "version": "v3",
      "updated": "2013-12-13T13:54:59.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "73.40.Gk",
      "61.66.Fn",
      "71.15.Mb",
      "73.20.-r",
      "71.15.Ap"
    ],
    "keywords": [
      "gaas heterostructures",
      "theoretical investigation",
      "lmto local spin-density functional theory",
      "non-equilibrium greens function approach",
      "electronic structure"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "journal": "Journal of Applied Physics",
      "year": 2013,
      "month": "Dec",
      "volume": 114,
      "number": 22,
      "pages": 3702
    },
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2013JAP...114v3702S"
    }
  }
}