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@ARTICLE{Lounis:49849,
      author       = {Lounis, S. and Mavropoulos, Ph. and Dederichs, P. H. and
                      Blügel, S.},
      title        = {{N}oncollinear {K}orringa-{K}ohn-{R}ostoker {G}reen
                      function method: {A}pplication to 3d nanostructures on
                      {N}i(001)},
      journal      = {Physical review / B},
      volume       = {72},
      number       = {22},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-49849},
      pages        = {224437},
      year         = {2005},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Magnetic nanostructures on nonmagnetic or magnetic
                      substrates have attracted strong attention due to the
                      development of interesting experimental methods with atomic
                      resolution. Motivated by this progress we have extended the
                      full-potential Korringa-Kohn-Rostoker Green-function method
                      to treat noncollinear magnetic nanostructures on surfaces.
                      We focus on magnetic 3d impurity nanoclusters, sitting as
                      adatoms on or in the first surface layer on Ni(001), and
                      investigate the size and orientation of the local moments
                      and, moreover, the stabilization of noncollinear magnetic
                      solutions. While clusters of Fe, Co, Ni atoms are
                      magnetically collinear, noncollinear magnetic coupling is
                      expected for Cr and Mn clusters on surfaces of elemental
                      ferromagnets. The origin of frustration is the competition
                      of the antiferromagnetic exchange coupling among the Cr or
                      Mn atoms with the antiferromagnetic (for Cr) or
                      ferromagnetic (for Mn) exchange coupling between the
                      impurities and the substrate. We find that Cr and Mn
                      first-neighboring dimers and a Mn trimer on Ni(001) show
                      noncollinear behavior nearly degenerate with the most stable
                      collinear configuration. Increasing the distance between the
                      dimer atoms leads to a collinear behavior, similar to the
                      one of the single impurities. Finally, we compare some of
                      the noncollinear ab initio results to those obtained within
                      a classical Heisenberg model, where the exchange constants
                      are fitted to total energies of the collinear states; the
                      agreement is surprisingly good.},
      keywords     = {J (WoSType)},
      cin          = {CNI / IFF-TH-I / IFF-TH-III},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB381 / I:(DE-Juel1)VDB30 / I:(DE-Juel1)VDB32},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK242},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000234335600073},
      doi          = {10.1103/PhysRevB.72.224437},
      url          = {https://juser.fz-juelich.de/record/49849},
}