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Dimensional crossover tuned by pressure in layered magnetic NiPS3

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Abstract

The physical properties of most 2D materials are highly dependent on the nature of their interlayer interaction. In-depth studies of the interlayer interaction are beneficial to the understanding of the physical properties of 2D materials and permit the development of related devices. Layered magnetic NiPS3 has unique magnetic and electronic properties. The electronic band structure and corresponding magnetic state of NiPS3 are expected to be sensitive to the interlayer interaction, which can be tuned by external pressure. Here, we report an insulator-metal transition accompanied by the collapse of magnetic order during the 2D-3D structural crossover induced by hydrostatic pressure. A two-stage phase transition from a monoclinic (C2/m) to a trigonal \((P\bar 31m)\) lattice is identified via ab initio simulations and confirmed via high-pressure X-ray diffraction and Raman scattering; this transition corresponds to a layer-by-layer slip mechanism along the a-axis. Temperature-dependent resistance measurements and room temperature infrared spectroscopy under different pressures demonstrate that the insulator-metal transition and the collapse of the magnetic order occur at ∼20 GPa, which is confirmed by low-temperature Raman scattering measurements and theoretical calculations. These results establish a strong correlation between the structural change, electric transport, and magnetic phase transition and expand our understanding of layered magnetic materials. Moreover, the structural transition caused by the interlayer displacement has significance for designing similar devices at ambient pressure.

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Author notes

  1. These authors contributed equally to this work.

Authors and Affiliations

  1. Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, China

    Xiaoli Ma, Yunyu Yin, Jianhong Dai, Jinguang Cheng, Jianting Ji, Feng Jin, Fang Hong, Jian-Tao Wang, Qingming Zhang & Xiaohui Yu

  2. Department of Physics, Renmin University of China, Beijing, 100872, China

    Yimeng Wang

  3. Center for High Pressure Science and Technology Advanced Research, Beijing, 100094, China

    Binbin Yue

  4. School of Physical Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China

    Jinguang Cheng, Fang Hong, Jian-Tao Wang & Xiaohui Yu

  5. Songshan Lake Materials Laboratory, Dongguan, 523808, China

    Fang Hong, Jian-Tao Wang & Xiaohui Yu

  6. School of Physical Science and Technology, Lanzhou University, Lanzhou, 730000, China

    Qingming Zhang

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  1. Xiaoli Ma
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Corresponding authors

Correspondence to Fang Hong, Jian-Tao Wang, Qingming Zhang or Xiaohui Yu.

Additional information

This work was supported by the National Key Research and Development Program of China (Grant Nos. 2016YFA0401503, 2018YFA0305700, 2017YFA0302904, 2020YFA0711502, and 2016YFA0300500), the National Natural Science Foundation of China (Grant Nos. 11575288, 11974387, U1932215, U1930401, 12004014, 22090041, and 11774419), the Strategic Priority Research Program and Key Research Program of Frontier Sciences of the Chinese Academy of Sciences (Grant Nos. XDB33000000, XDB25000000, and QYZDBSSW-SLH013), the Youth Innovation Promotion Association of Chinese Academy of Sciences (Grant No. Y202003), and the CAS Interdisciplinary Innovation Team (Grant No. JCTD-2019-01). ADXRD measurements were performed at 4W2 High Pressure Station, Beijing Synchrotron Radiation Facility (BSRF), which is supported by the Chinese Academy of Sciences (Grant Nos. KJCX2-SW-N20, and KJCX2-SW-N03). This work was partially carried out at high-pressure synergetic measurement station of synergetic extreme condition user facility.

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Ma, X., Wang, Y., Yin, Y. et al. Dimensional crossover tuned by pressure in layered magnetic NiPS3. Sci. China Phys. Mech. Astron. 64, 297011 (2021). https://doi.org/10.1007/s11433-021-1727-6

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