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@ARTICLE{Sakuma:16690,
      author       = {Sakuma, R. and Friedrich, C. and Miyake, T. and Blügel, S.
                      and Aryasetiawan, F.},
      title        = {{GW} calculations including spin-orbit coupling:
                      {A}pplication to {H}g chalcogenides},
      journal      = {Physical review / B},
      volume       = {84},
      number       = {8},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-16690},
      pages        = {085144},
      year         = {2011},
      note         = {Fruitful discussions with G. Bihlmayer are gratefully
                      acknowledged. This work was supported by "Materials Design
                      through Computics: Complex Correlation and Non-Equilibrium
                      Dynamics,' A Grant in Aid for Scientific Research on
                      Innovative Areas, and the Global Center-of-Excellence
                      program (G-03) of MEXT Japan. We further acknowledge
                      financial support from the Deutsche Forschungsgemeinschaft
                      through the Priority Program 1145. Part of the calculations
                      were performed at the Supercomputer Center of ISSP, Japan.},
      abstract     = {We present self-energy calculations for Hg chalcogenides
                      (HgX, X = S, Se, and Te) with inverted band structures using
                      an explicit spin-dependent formulation of the GW
                      approximation. Spin-orbit coupling is fully taken into
                      account in calculating the single-particle Green function G
                      and the screened interaction W. We have found, apart from an
                      upward shift of the occupied conductionlike Gamma(6) state
                      by about 0.7 eV, an enhancement of spin-orbit splitting by
                      about 0.1 eV, in good agreement with experiment. This
                      renormalization originates mainly from spin-orbit induced
                      changes in G rather than W, which is affected only little by
                      spin-orbit coupling.},
      keywords     = {J (WoSType)},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-SIM},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / I:(DE-Juel1)VDB1045},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000294401600008},
      doi          = {10.1103/PhysRevB.84.085144},
      url          = {https://juser.fz-juelich.de/record/16690},
}