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@ARTICLE{Drissi:838608,
      author       = {Drissi, L. B. and Ramadan, F. Z. and Lounis, S.},
      title        = {{H}alogenation of {S}i{C} for band-gap engineering and
                      excitonic functionalization},
      journal      = {Journal of physics / Condensed matter},
      volume       = {29},
      number       = {45},
      issn         = {1361-648X},
      address      = {Bristol},
      publisher    = {IOP Publ.},
      reportid     = {FZJ-2017-07185},
      pages        = {455001},
      year         = {2017},
      abstract     = {The optical excitation spectra and excitonic resonances are
                      investigated in systematically functionalized SiC with
                      Fluorine and/or Chlorine utilizing density functional theory
                      in combination with many-body perturbation theory. The
                      latter is required for a realistic description of the energy
                      band-gaps as well as for the theoretical realization of
                      excitons. Structural, electronic and optical properties are
                      scrutinized and show the high stability of the predicted
                      two-dimensional materials. Their realization in laboratory
                      is thus possible. Large band-gaps of the order of 4 eV are
                      found in the so-called GW approximation, with the occurrence
                      of bright excitons, optically active in the four
                      investigated materials. Their binding energies vary from
                      0.9 eV to 1.75 eV depending on the decoration choice and
                      in one case, a dark exciton is foreseen to exist in the
                      fully chlorinated SiC. The wide variety of opto-electronic
                      properties suggest halogenated SiC as interesting materials
                      with potential not only for solar cell applications,
                      anti-reflection coatings or high-reflective systems but also
                      for a possible realization of excitonic Bose–Einstein
                      condensation.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142)},
      pid          = {G:(DE-HGF)POF3-142},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:28891810},
      UT           = {WOS:000425260900001},
      doi          = {10.1088/1361-648X/aa8b99},
      url          = {https://juser.fz-juelich.de/record/838608},
}