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@ARTICLE{Paul:1025384,
      author       = {Paul, Souvik and Heinze, Stefan},
      title        = {{T}uning magnetic interactions of {C}o and 4 d
                      transition-metal atomic bilayers on {R}e(0001) via interface
                      engineering},
      journal      = {Physical review / B},
      volume       = {109},
      number       = {6},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2024-02847},
      pages        = {064417},
      year         = {2024},
      abstract     = {Employing ab initio density functional theory (DFT), we
                      performed a systematic investigation of the electronic
                      structure and the magnetic properties of atomic bilayers
                      composed of a 4d transition-metal layer (Rh, Pd, and Ru) and
                      a Co layer on the Re(0001) surface. Our DFT calculations
                      reveal the influence of the bilayer composition and their
                      stacking sequence on the magnetic ground state and magnetic
                      interactions. We obtain the magnetic interactions by mapping
                      the total energies onto an effective spin Hamiltonian which
                      contains the exchange interaction and the
                      Dzyaloshinskii-Moriya interaction (DMI), as well as the
                      magnetocrystalline anisotropy energy (MAE). We observe
                      noticeable changes in bilayer hybridization due to variation
                      in bilayer composition and overlayer symmetry, leading to
                      significant variation in magnetic interactions. In all
                      considered systems, the effective exchange interaction is
                      ferromagnetic, however, the value varies by up to a factor
                      of 5. The effective DMI constant exhibits variation in sign
                      over the films considered, favoring either right-
                      (clockwise) or left-handed (counterclockwise) cycloidal spin
                      spirals. The value of the DMI changes by up to a factor of
                      27 among the films. For most of the systems, the MAE favors
                      an out-of-plane easy magnetization axis; however, for
                      hcp-Co/Rh and hcp-Co/Ru bilayers on Re(0001), it prefers an
                      in-plane magnetization axis. The magnitude of the MAE varies
                      from a small value of about 0.1 meV/Co atom up to about 2
                      meV/Co atom for Co/Pd bilayers. The spin spiral energy
                      dispersion curve rises quite quickly close to the
                      ferromagnetic state for films in which the Co layer is
                      adjacent to the vacuum indicating a large effective exchange
                      constant which stabilizes a ferromagnetic ground state in
                      Co/4d bilayers on Re(0001). The energy dispersion curve
                      becomes flatter for films with a Co layer that is sandwiched
                      between a 4d overlayer and the Re(0001) surface. In this
                      case, the exchange constant is much reduced and the ground
                      state is determined by the competition among the exchange
                      interaction, favoring the FM state, the DMI, which favors
                      cycloidal spin spirals, and the MAE, which disfavors spin
                      spirals over the FM state. As a result, hcp-Rh/Co/Re(0001)
                      shows a spin spiral ground state driven by DMI with a period
                      of 13 nm, while the other films exhibit a ferromagnetic
                      ground state. The spin spiral energy dispersion of
                      hcp-Rh/Co/Re(0001) indicates that isolated skyrmions can be
                      stabilized in the ferromagnetic background with an applied
                      magnetic field. Our results further suggest that isolated
                      skyrmions could be realized even in the absence of an
                      external field in fcc-Rh/Co/Re(0001), hcp-Pd/Co/Re(0001),
                      fcc-Pd/Co/Re(0001), and fcc-Ru/Co/Re(0001). A total energy
                      comparison reveals that these five promising films are
                      energetically strongly preferred over films with a Co
                      overlayer. This makes ultrathin films composed of a 4d
                      transition-metal overlayer on Co/Re(0001) promising
                      candidates for the search of isolated skyrmions.},
      cin          = {PGI-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-1-20110106},
      pnm          = {5211 - Topological Matter (POF4-521) / 3D MAGiC -
                      Three-dimensional magnetization textures: Discovery and
                      control on the nanoscale (856538)},
      pid          = {G:(DE-HGF)POF4-5211 / G:(EU-Grant)856538},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001198676400004},
      doi          = {10.1103/PhysRevB.109.064417},
      url          = {https://juser.fz-juelich.de/record/1025384},
}