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Pressure-induced structural transitions and metallization in ZrSe2

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Pressure-induced structural transitions and metallization in ZrSe2
High-pressure studies of two-dimensional materials have revealed numerous novel properties and physical mecha-nisms behind them.As a typical material of transition metal dichalcogenides(TMDs),ZrSe2 exhibits high carrier mobility,rich electronic states regulated by doping,and high potential in applications at ambient pressure.However,the properties of ZrSe2 under pressure are still not clear,especially for the structural and electrical properties.Here,we report the investi-gation of ZrSe2 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 ZrSe2 at 8.3 GPa and 31.5 GPa,from P-3m1 symme-try to P21/m symmetry,and finally transformed into a non-layer I4/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.

high pressuretransition metal dichalcogenidesstructure phase transitionelectrical transport properties

高一平、刘晨晨、田灿、朱程程、黄晓丽、崔田

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State Key Laboratory of Superhard Materials,College of Physics,Jilin University,Changchun 130012,China

School of Physical Science and Technology,Ningbo University,Ningbo 315211,China

high pressure transition metal dichalcogenides structure phase transition electrical transport properties

2024

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子:0.995
ISSN:1674-1056
年,卷(期):2024.33(12)