{
  "id": "0901.2762",
  "version": "v2",
  "published": "2009-01-19T09:07:52.000Z",
  "updated": "2009-03-13T07:00:27.000Z",
  "title": "Electronic Structures and Surface States of Topological Insulator Bi$_{1-x}$Sb$_{x}$",
  "authors": [
    "Hai-Jun Zhang",
    "Chao-Xing Liu",
    "Xiao-Liang Qi",
    "Xiao-Yu Deng",
    "Xi Dai",
    "Shou-Cheng Zhang",
    "Zhong Fang"
  ],
  "comment": "8 pages, 11 figures",
  "journal": "Phys. Rev. B 80, 085307 (2009)",
  "doi": "10.1103/PhysRevB.80.085307",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "We investigate the electronic structures of the alloyed Bi$_{1-x}$Sb$_x$ compounds based on first-principle calculations including spin-orbit coupling (SOC), and calculate the surface states of semi-infinite systems using maximally localized Wannier function (MLWF). From the calculated results, we analyze the topological nature of Bi$_{1-x}$Sb$_x$, and found the followings: (1) pure Bi crystal is topologically trivial; (2) topologically non-trivial phase can be realized by reducing the strength of SOC via Sb doping; (3) the indirect bulk band gap, which is crucial to realize the true bulk insulating phase, can be enhanced by uniaxial pressure along c axis. (4) The calculated surface states can be compared with experimental results, which confirms the topological nature; (5) We predict the spin-resolved Fermi surfaces and showed the vortex structures, which should be examined by future experiments.",
  "revisions": [
    {
      "version": "v2",
      "updated": "2009-03-13T07:00:27.000Z"
    }
  ],
  "analyses": {
    "subjects": [
      "71.15.Dx",
      "71.18.+y",
      "73.20.At",
      "73.61.Le"
    ],
    "keywords": [
      "surface states",
      "topological insulator bi",
      "electronic structures",
      "indirect bulk band gap",
      "pure bi crystal"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "APS",
      "journal": "Physical Review B",
      "year": 2009,
      "month": "Aug",
      "volume": 80,
      "number": 8,
      "pages": "085307"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 8,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2009PhRvB..80h5307Z"
    }
  }
}