Published January 1, 2023 | Version v1
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Skyrmion formation in Ni-based Janus dihalide monolayers: Interplay between magnetic frustration and Dzyaloshinskii-Moriya interaction

  • 1. Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA
  • 2. Tech Univ Munich, Phys Dept E20, D-85748 Garching, Germany
  • 3. Arizona State Univ, Sch Engn Matter Transport & Energy, Mat Sci & Engn, Tempe, AZ 85287 USA

Description

We present a comprehensive theory of the magnetic phases in monolayer nickel-based Janus dihalides (NiIBr, NiICl, NiBrCl) through a combination of first-principles calculations and atomistic simulations. Phonon band structure calculations and finite-temperature molecular dynamics simulations show that Ni-dihalide Janus monolayers are stable. The parameters of the interacting spin Hamiltonian extracted from ab initio calculations show that nickel-dihalide Janus monolayers exhibit varying degrees of magnetic frustration together with a large Dzyaloshinskii-Moriya interaction due to their inherent inversion symmetry breaking. The atomistic simulations reveal a delicate interplay between these two competing magnetic interactions in giving rise to skyrmion formation.

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