Pressure-induced reversible phase transition on Mo2Ga2C

Niu, Jingjing; Zhang, Haibin; Wu, Ye; Hu, Chunfeng; Wu, Xiang

doi:10.1063/1.5034101

Title: Pressure-induced reversible phase transition on Mo₂Ga₂C

Journal Article · Tue Aug 28 00:00:00 EDT 2018 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5034101· OSTI ID:1468807

Niu, Jingjing ^[1]; Zhang, Haibin ^[2];

^[3]; Hu, Chunfeng ^[4]; Wu, Xiang ^[5]

Peking Univ. and School of Earth and Space Sciences, Beijing (China); China Academy of Engineering Physics, Mianyang (China)
China Academy of Engineering Physics, Mianyang (China)
Wuhan Univ. of Technology (China)
Southwest Jiaotong Univ., Chengdu (China)
China Univ. of Geosciences, Wuhan (China)

The newly carbide α-Mo₂Ga₂C with P63/mmc space group presents a unique top-packed Ga double layer structure. Pressure-induced phase transition of Mo₂Ga₂C has been investigated by in-situ high-pressure synchrotron radiation X-ray diffraction, Raman spectroscopy combined with diamond anvil cell technique, and first-principle calculations. Both experimental and theoretical results show that a first-order phase transition from P6₃/mmc to P3¯m1 occurs at ~22 GPa, where the high-pressure phase named β-Mo₂Ga₂C has a close-packed Ga double layer zig-zag structure. The isothermal pressure-volume relationship of Mo₂Ga₂C is described by the second-order Birch-Murnaghan equation of state, yielding K₀ = 139(2) GPa, K₀' = 4(fixed), and V₀ = 144.5(1) Å3 for α-Mo₂Ga₂C; K₀ = 187(3) GPa, K₀' = 4(fixed), and V₀ = 137.9(2) Å³ for β-Mo₂Ga₂C. The instability caused by the repulsive force between the Ga atoms in the top-packed double-layer under pressure mainly accounts for the phase transition. In conclusion, the newly discovered β-Mo₂Ga₂C reveals that the MAX-like M₂A₂X type ternary compounds with different compositions may form various structures with different space groups.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC); Science and Technology Development Foundation of China Academy of Engineering Physics; National Science Foundation-Earth Sciences; Natural Sciences Foundation of China

Grant/Contract Number:: AC02-06CH11357; 91326102; 51532009; 51741208; 2013A0301012; EAR-1128799; FG02-94ER14466

OSTI ID:: 1468807

Journal Information:: Journal of Applied Physics, Vol. 124, Issue 8; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 6 works

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