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<p>Ferromagnetism in van der Waals insulators like CrBr<sub>3</sub> is highly sensitive to structural modifications. We explore the pressure-driven structural and magnetic transformations of the van der Waals magnet CrBr₃, establishing it as a model platform for phenomena emerging in layered vdW systems. Single-crystal X-ray diffraction revealed intrinsic trimorphism with two known phases (monoclinic and rhombohedral) and a so&#xa0;far unreported trigonal phase. The paracrystal model well captures the coexistence of the rhombohedral and trigonal phases at ambient conditions. Increasing pressure drives the growth of the AA-stacked trigonal phase at the expense of the rhombohedral phase, which becomes undetectable above 8.4 GPa. Magnetization measurements provided the first direct evidence of a collapse of ferromagnetism above 5.8 GPa. This behavior is attributed to the increasing number of AFM-coupled Cr moments in AA stackings. Ab initio DFT calculations of electronic structure and atomistic simulations of finite-temperature magnetism corroborate the scenario.</p>

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Pressure-induced structure transformation and collapse of ferromagnetism in van der Waals insulator

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年7月16日

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  • M. Míšek,
  • U. Dutta,
  • P. Král,
  • D. Hovančík,
  • J. Kaštil,
  • K. Pokhrel,
  • S. Ray,
  • J. Valenta,
  • J. Prchal,
  • J. Kamarád,
  • F. Borodavka,
  • V. Eigner,
  • M. Dušek,
  • V. Holý,
  • K. Carva,
  • S. Kamba,
  • V. Sechovský,
  • J. Pospíšil

摘要

Ferromagnetism in van der Waals insulators like CrBr3 is highly sensitive to structural modifications. We explore the pressure-driven structural and magnetic transformations of the van der Waals magnet CrBr₃, establishing it as a model platform for phenomena emerging in layered vdW systems. Single-crystal X-ray diffraction revealed intrinsic trimorphism with two known phases (monoclinic and rhombohedral) and a so far unreported trigonal phase. The paracrystal model well captures the coexistence of the rhombohedral and trigonal phases at ambient conditions. Increasing pressure drives the growth of the AA-stacked trigonal phase at the expense of the rhombohedral phase, which becomes undetectable above 8.4 GPa. Magnetization measurements provided the first direct evidence of a collapse of ferromagnetism above 5.8 GPa. This behavior is attributed to the increasing number of AFM-coupled Cr moments in AA stackings. Ab initio DFT calculations of electronic structure and atomistic simulations of finite-temperature magnetism corroborate the scenario.