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@ARTICLE{Niu:186664,
      author       = {Niu, Chengwang and Bihlmayer, Gustav and Zhang, Hongbin and
                      Wortmann, Daniel and Blügel, Stefan and Mokrousov, Yuriy},
      title        = {{F}unctionalized bismuth films: {G}iant gap quantum spin
                      {H}all and valley-polarized quantum anomalous {H}all states},
      journal      = {Physical review / B},
      volume       = {91},
      number       = {4},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2015-00737},
      pages        = {041303},
      year         = {2015},
      abstract     = {The search for new large band gap quantum spin Hall (QSH)
                      and quantum anomalous Hall (QAH) insulators is critical for
                      their realistic applications at room temperature. Here we
                      predict, based on first-principles calculations, that the
                      band gap of QSH and QAH states can be as large as 1.01 and
                      0.35 eV in an H-decorated Bi(111) film. The origin of this
                      giant band gap lies in both the large spin-orbit interaction
                      of Bi and the H-mediated exceptional electronic and
                      structural properties. Moreover, we find that the QAH state
                      also possesses the properties of a quantum valley Hall
                      state, thus intrinsically realizing the so-called
                      valley-polarized QAH effect. We further investigate the
                      possibility of large gap QSH and QAH states in an
                      H-decorated Bi(1¯10) film and
                      X-decorated(X=F,Cl,Br,andI)Bi(111) films.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000348328200003},
      doi          = {10.1103/PhysRevB.91.041303},
      url          = {https://juser.fz-juelich.de/record/186664},
}