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@ARTICLE{Schubert:18495,
      author       = {Schubert, F. and Mokrousov, Y. and Ferriani, P. and Heinze,
                      S.},
      title        = {{N}oncollinear magnetism in freestanding and supported
                      monatomic {M}n chains},
      journal      = {Physical review / B},
      volume       = {83},
      number       = {16},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-18495},
      pages        = {165442},
      year         = {2011},
      note         = {Financial support of the Stifterverband fur die Deutsche
                      Wissenschaft is gratefully acknowledged. Y.M. thanks HGF-YIG
                      Programme VH-NG-513 for funding and Julich Super-computing
                      Center for computational time. We would like to thank Gustav
                      Bihlmayer and especially Phivos Mavropoulos and Stefan
                      Blugel for many illuminating discussions and suggestions.},
      abstract     = {Using first-principles calculations, we study the
                      occurrence of noncollinear magnetic order in monatomic Mn
                      chains. First, we focus on freestanding Mn chains and
                      demonstrate that they exhibit a pronounced noncollinear
                      ground state in a large range of interatomic distances
                      between atoms in the chain. By artificially varying the
                      atomic number of Mn we investigate how the magnetic ground
                      state is influenced by alloying the Mn chains with Fe and
                      Cr. With increasing number of 3d electrons we find a smooth
                      transition in the magnetic phase space starting from an
                      antiferromagnetic state for pure Cr chains through a regime
                      of noncollinear ground states for Mn-rich chains to a
                      ferromagnetic solution approaching the limit of pure Fe
                      chains. Second, we investigate the magnetism in supported Mn
                      chains on the (110) surfaces of Cu, Pd, and Ag. We show that
                      even a weak chain-surface hybridization is sufficient to
                      dramatically change the magnetic coupling in the chain.
                      Nevertheless, while we observe that Mn chains are
                      antiferromagnetic on Pd(110), a weak noncollinear magnetic
                      order survives for Mn chains on Cu(110) and Ag(110) a few
                      meV in energy below the antiferromagnetic solution. We
                      explain the sensitive dependence of the exchange interaction
                      in Mn chains on the interatomic distance, chemical
                      composition, and their environment based on the competition
                      between the ferromagnetic double exchange and the
                      antiferromagnetic kinetic exchange mechanism. Finally, we
                      perform simulations which predict that the noncollinear
                      magnetic order of Mn chains on Cu(110) and Ag(110) could be
                      experimentally verified by spin-polarized scanning tunneling
                      microscopy.},
      keywords     = {J (WoSType)},
      cin          = {PGI-1 / IAS-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000290115600007},
      doi          = {10.1103/PhysRevB.83.165442},
      url          = {https://juser.fz-juelich.de/record/18495},
}