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@ARTICLE{Hanke:842668,
      author       = {Hanke, Jan-Philipp and Freimuth, Frank and Blügel, Stefan
                      and Mokrousov, Yuriy},
      title        = {{H}igher-dimensional {W}annier {I}nterpolation for the
                      {M}odern {T}heory of the {D}zyaloshinskii–{M}oriya
                      {I}nteraction: {A}pplication to {C}o-based {T}rilayers},
      journal      = {Journal of the Physical Society of Japan},
      volume       = {87},
      number       = {4},
      issn         = {1347-4073},
      address      = {Tokyo},
      publisher    = {The Physical Society of Japan},
      reportid     = {FZJ-2018-00875},
      pages        = {041010},
      year         = {2018},
      abstract     = {We present an advanced first-principles formalism to
                      evaluate the Dzyaloshinskii–Moriya interaction (DMI) in
                      its modern theory as well as Berry curvatures in complex
                      spaces based on a higher-dimensional Wannier interpolation.
                      Our method is applied to the Co-based trilayer systems
                      IrδPt1−δ/Co/Pt and AuγPt1−γ/Co/Pt, where we gain
                      insights into the correlations between the electronic
                      structure and the DMI, and we uncover prominent sign changes
                      of the chiral interaction with the overlayer composition.
                      Beyond the discussed phenomena, the scope of applications of
                      our Wannier-based scheme is particularly broad as it is
                      ideally suited to study efficiently the Hamiltonian
                      evolution under the slow variation of very general
                      parameters.},
      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) /
                      Topological transport in real materials from ab initio
                      $(jias12_20121101)$},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143 /
                      $G:(DE-Juel1)jias12_20121101$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000425148600005},
      doi          = {10.7566/JPSJ.87.041010},
      url          = {https://juser.fz-juelich.de/record/842668},
}