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<p>Low-field electric control of magnetic phase transitions is critical for the development of energy-efficient spintronic and non-volatile memory technologies. Yet, the weak magnetoelectric coupling in most known two-dimensional multiferroics hinders their practical implementation. Here, using crystal structure prediction and high-throughput first-principles calculations, we identify four previously unexplored bimetallic thio(seleno)phosphate multiferroics, <i>X</i>MnP<sub>2</sub>(S/Se)<sub>6</sub> (<i>X</i> = Cu, Au), all exhibiting robust in-plane spontaneous polarization—contrasting with the predominantly out-of-plane behavior in this material family—which effectively mitigates depolarization effects. In particular, CuMnP<sub>2</sub>Se<sub>6</sub> hosts two stable <i>C</i><sub>2</sub>-symmetric ferroelectric phases with opposite in-plane polarizations and distinct magnetic orders. Remarkably, an electric field as small as &#xa0;~0.001 V/Å can simultaneously reverse the polarization and induce an antiferromagnetic-to-ferromagnetic transition. The associated barrier is exceptionally low (&#xa0;~49 meV/f.u.), yielding a sizable magnetoelectric coefficient of &#xa0;~0.04 G&#xa0;⋅&#xa0;cm/V. These results highlight a viable strategy for realizing electric-field-driven magnetism in intrinsic two-dimensional multiferroics under experimentally feasible conditions.</p>

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Phase-transition-driven ferroic response in 2D CuMnP2Se6 under ultra-low electric fields

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年12月13日

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  • Jingyan Chen,
  • Meiling Xu,
  • Yuntao Jie,
  • Jiaqi Feng,
  • Xiaodong Zhou,
  • Yanchao Wang,
  • Yinwei Li

摘要

Low-field electric control of magnetic phase transitions is critical for the development of energy-efficient spintronic and non-volatile memory technologies. Yet, the weak magnetoelectric coupling in most known two-dimensional multiferroics hinders their practical implementation. Here, using crystal structure prediction and high-throughput first-principles calculations, we identify four previously unexplored bimetallic thio(seleno)phosphate multiferroics, XMnP2(S/Se)6 (X = Cu, Au), all exhibiting robust in-plane spontaneous polarization—contrasting with the predominantly out-of-plane behavior in this material family—which effectively mitigates depolarization effects. In particular, CuMnP2Se6 hosts two stable C2-symmetric ferroelectric phases with opposite in-plane polarizations and distinct magnetic orders. Remarkably, an electric field as small as  ~0.001 V/Å can simultaneously reverse the polarization and induce an antiferromagnetic-to-ferromagnetic transition. The associated barrier is exceptionally low ( ~49 meV/f.u.), yielding a sizable magnetoelectric coefficient of  ~0.04 G ⋅ cm/V. These results highlight a viable strategy for realizing electric-field-driven magnetism in intrinsic two-dimensional multiferroics under experimentally feasible conditions.