| SPECIAL TOPIC — Structures and properties of materials under high pressure |
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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 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 |
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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.
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Received: 27 September 2024
Revised: 27 October 2024
Accepted manuscript online: 05 November 2024
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PACS:
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61.05.cp
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(X-ray diffraction)
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61.50.Ks
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(Crystallographic aspects of phase transformations; pressure effects)
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64.30.-t
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(Equations of state of specific substances)
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78.30.-j
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(Infrared and Raman spectra)
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| Fund: 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). |
Corresponding Authors:
Xiaoli Huang
E-mail: huangxiaoli@jlu.edu.cn
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Cite this article:
Yiping Gao(高一平), Chenchen Liu(刘晨晨), Can Tian(田灿), Chengcheng Zhu(朱程程), Xiaoli Huang(黄晓丽), and Tian Cui(崔田) Pressure-induced structural transitions and metallization in ZrSe2 2024 Chin. Phys. B 33 126104
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