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Realistic Spin Model for Multiferroic NiI_{2}.

Xuanyi Li1, Changsong Xu1,2, Boyu Liu1

  • 1Key Laboratory of Computational Physical Sciences (Ministry of Education), Institute of Computational Physical Sciences, State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433, China.

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|August 4, 2023
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Summary
This summary is machine-generated.

Researchers developed a spin Hamiltonian for multiferroic NiI2, revealing the Kitaev interaction

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Magnetism

Background:

  • Type-II multiferroics exhibit coupled magnetic and electric order.
  • Understanding the spin interactions in NiI2 is crucial for its multiferroic properties.

Purpose of the Study:

  • To construct a realistic spin Hamiltonian for NiI2.
  • To elucidate the key interactions governing its helical magnetic ground state.
  • To investigate the origins of multiferroicity in NiI2.

Main Methods:

  • First-principle calculations.
  • Symmetry-adapted cluster expansion method.
  • Monte Carlo simulations.

Main Results:

  • A spin Hamiltonian including Kitaev and biquadratic interactions accurately reproduces experimental helical states.
  • Kitaev interaction dictates the in-plane propagation direction and canting of the rotation plane.
  • Identified three magnetic domains and topological defects.

Conclusions:

  • The Kitaev interaction is the dominant factor in NiI2's magnetic properties and likely its multiferroicity.
  • Challenges established theories regarding exchange frustrations and interlayer couplings.
  • Provides a foundation for exploring other multiferroic materials.