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@ARTICLE{Hadipour:858569,
      author       = {Hadipour, H. and Sasioglu, Ersoy and Bagherpour, F. and
                      Friedrich, Christoph and Blügel, S. and Mertig, I.},
      title        = {{S}creening of long-range {C}oulomb interaction in graphene
                      nanoribbons: {A}rmchair versus zigzag edges},
      journal      = {Physical review / B},
      volume       = {98},
      number       = {20},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2018-07439},
      pages        = {205123},
      year         = {2018},
      abstract     = {We study the electronic screening of the long-range Coulomb
                      interaction in graphene nanoribbons (GNRs) with armchair and
                      zigzag edges as a function of the ribbon width by employing
                      ab initio calculations in conjunction with the random-phase
                      approximation. We find that in GNRs with armchair edges
                      quantum confinement effects lead to oscillatory behavior of
                      the on-site screened Coulomb interaction with the ribbon
                      width. Furthermore, the reduced dimensionality and the
                      existence of a band gap result in a nonconventional
                      screening of the Coulomb interaction; that is, it is
                      screened at short distances and antiscreened at intermediate
                      distances, and finally, it approaches the bare (unscreened)
                      interaction at large distances. In the case of GNRs with
                      zigzag edges the presence of edge states strongly affects
                      the screening, which leads to a strong reduction of the
                      effective on-site Coulomb interaction (Hubbard U) parameters
                      at the edge. We find that the interactions turn out to be
                      local; the nonlocal part is strongly screened due to edge
                      states, making GNRs with zigzag edges correlated materials.
                      On the basis of the calculated effective Coulomb interaction
                      parameter U, we discuss the appearance of ferromagnetism at
                      zigzag edges of GNRs within the Stoner model.},
      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) / 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:000450139700006},
      doi          = {10.1103/PhysRevB.98.205123},
      url          = {https://juser.fz-juelich.de/record/858569},
}