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@ARTICLE{Schweflinghaus:811255,
      author       = {Schweflinghaus, Benedikt and Zimmermann, Bernd and Heide,
                      M. and Bihlmayer, G. and Blügel, S.},
      title        = {{R}ole of {D}zyaloshinskii-{M}oriya interaction for
                      magnetism in transition-metal chains at {P}t step edges},
      journal      = {Physical review / B},
      volume       = {94},
      number       = {2},
      issn         = {2469-9950},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2016-03756},
      pages        = {024403},
      year         = {2016},
      abstract     = {We explore the emergence of chiral magnetism in
                      one-dimensional monatomic Mn, Fe, and Co chains deposited at
                      the Pt(664) step edge carrying out an ab initio study based
                      on density functional theory (DFT). The results are analyzed
                      employing several models: (i) a micromagnetic model, which
                      takes into account the Dzyaloshinskii-Moriya interaction
                      (DMI) besides the spin stiffness and the magnetic anisotropy
                      energy, and (ii) the Fert-Levy model of the DMI for diluted
                      magnetic impurities in metals. Due to the step-edge
                      geometry, the direction of the Dzyaloshinskii vector (D
                      vector) is not predetermined by symmetry and points in an
                      off-symmetry direction. For the Mn chain we predict a
                      long-period cycloidal spin-spiral ground state of unique
                      rotational sense on top of an otherwise atomic-scale
                      antiferromagnetic phase. The spins rotate in a plane that is
                      tilted relative to the Pt surface by 62∘ towards the upper
                      step of the surface. The Fe and Co chains show a
                      ferromagnetic ground state since the DMI is too weak to
                      overcome their respective magnetic anisotropy barriers. An
                      analysis of domain walls within the latter two systems
                      reveals a preference for a Bloch wall for the Fe chain and a
                      Néel wall of unique rotational sense for the Co chain in a
                      plane tilted by 29∘ towards the lower step. Although the
                      atomic structure is the same for all three systems, not only
                      the size but also the direction of their effective D vectors
                      differ from system to system. The latter is in contradiction
                      to the Fert-Levy model. Due to the considered step-edge
                      structure, this work provides also insight into the effect
                      of roughness on DMI at surfaces and interfaces of magnets.
                      Beyond the discussion of the monatomic chains we provide
                      general expressions relating ab initio results to realistic
                      model parameters that occur in a spin-lattice or in a
                      micromagnetic model. We prove that a planar homogeneous
                      spiral of classical spins with a given wave vector rotating
                      in a plane whose normal is parallel to the D vector is an
                      exact stationary state solution of a spin-lattice model for
                      a periodic solid that includes Heisenberg exchange and DMI.
                      In the vicinity of a collinear magnetic state, assuming that
                      the DMI is much smaller than the exchange interaction, the
                      curvature and slope of the stationary energy curve of the
                      spiral as a function of the wave vector provide directly the
                      values of the spin stiffness and the spiralization required
                      in micromagnetic models. The validity of the Fert-Levy model
                      for the evaluation of micromagnetic DMI parameters and for
                      the analysis of ab initio calculations is explored for
                      chains. The results suggest that some care has to be taken
                      when applying the model to infinite periodic one-dimensional
                      systems.},
      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) /
                      Magnetic Anisotropy of Metallic Layered Systems and
                      Nanostructures $(jiff13_20131101)$},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143 /
                      $G:(DE-Juel1)jiff13_20131101$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000378909700004},
      doi          = {10.1103/PhysRevB.94.024403},
      url          = {https://juser.fz-juelich.de/record/811255},
}