中国物理B ›› 2024, Vol. 33 ›› Issue (12): 126104-126104.doi: 10.1088/1674-1056/ad8ec9

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Pressure-induced structural transitions and metallization in ZrSe2

Yiping Gao(高一平)1,†, Chenchen Liu(刘晨晨)1,†, Can Tian(田灿)1, Chengcheng Zhu(朱程程)1, Xiaoli Huang(黄晓丽)1,‡, and Tian Cui(崔田)2   

  1. 1 State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China;
    2 School of Physical Science and Technology, Ningbo University, Ningbo 315211, China
  • 收稿日期:2024-09-27 修回日期:2024-10-27 接受日期:2024-11-05 出版日期:2024-12-15 发布日期:2024-11-21
  • 通讯作者: Xiaoli Huang E-mail:huangxiaoli@jlu.edu.cn
  • 基金资助:
    Project supported by the National Key R&D Program of China (Grant No. 2022YFA1405500) and the National Natural Science Foundation of China (Grant Nos. 52372257 and 52072188).

Pressure-induced structural transitions and metallization in ZrSe2

Yiping Gao(高一平)1,†, Chenchen Liu(刘晨晨)1,†, Can Tian(田灿)1, Chengcheng Zhu(朱程程)1, Xiaoli Huang(黄晓丽)1,‡, and Tian Cui(崔田)2   

  1. 1 State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China;
    2 School of Physical Science and Technology, Ningbo University, Ningbo 315211, China
  • Received:2024-09-27 Revised:2024-10-27 Accepted:2024-11-05 Online:2024-12-15 Published:2024-11-21
  • Contact: Xiaoli Huang E-mail:huangxiaoli@jlu.edu.cn
  • Supported by:
    Project supported by the National Key R&D Program of China (Grant No. 2022YFA1405500) and the National Natural Science Foundation of China (Grant Nos. 52372257 and 52072188).

摘要: High-pressure studies of two-dimensional materials have revealed numerous novel properties and physical mechanisms behind them. As a typical material of transition metal dichalcogenides (TMDs), ZrSe$_{2}$ exhibits high carrier mobility, rich electronic states regulated by doping, and high potential in applications at ambient pressure. However, the properties of ZrSe$_{2}$ under pressure are still not clear, especially for the structural and electrical properties. Here, we report the investigation of ZrSe$_{2}$ under pressure up to 66.5 GPa by in-situ x-ray diffraction, Raman, electrical transport measurements, and first-principles calculations. Two structural phase transitions occur in ZrSe$_{2}$ at 8.3 GPa and 31.5 GPa, from $P$-3$m$1 symmetry to $P$2$_{1}$/$m$ symmetry, and finally transformed into a non-layer $I$4/mmm symmetry structure. Pressure-induced metallic transition is observed at around 19.4 GPa in phase II which aligns well with the results of the calculation. Our work will help to improve the understanding of the evolution of the structure and electrical transport properties of two-dimensional materials.

关键词: high pressure, transition metal dichalcogenides, structure phase transition, electrical transport properties

Abstract: High-pressure studies of two-dimensional materials have revealed numerous novel properties and physical mechanisms behind them. As a typical material of transition metal dichalcogenides (TMDs), ZrSe$_{2}$ exhibits high carrier mobility, rich electronic states regulated by doping, and high potential in applications at ambient pressure. However, the properties of ZrSe$_{2}$ under pressure are still not clear, especially for the structural and electrical properties. Here, we report the investigation of ZrSe$_{2}$ under pressure up to 66.5 GPa by in-situ x-ray diffraction, Raman, electrical transport measurements, and first-principles calculations. Two structural phase transitions occur in ZrSe$_{2}$ at 8.3 GPa and 31.5 GPa, from $P$-3$m$1 symmetry to $P$2$_{1}$/$m$ symmetry, and finally transformed into a non-layer $I$4/mmm symmetry structure. Pressure-induced metallic transition is observed at around 19.4 GPa in phase II which aligns well with the results of the calculation. Our work will help to improve the understanding of the evolution of the structure and electrical transport properties of two-dimensional materials.

Key words: high pressure, transition metal dichalcogenides, structure phase transition, electrical transport properties

中图分类号:  (X-ray diffraction)

  • 61.05.cp
61.50.Ks (Crystallographic aspects of phase transformations; pressure effects) 64.30.-t (Equations of state of specific substances) 78.30.-j (Infrared and Raman spectra)