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Correlated structural and electronic phase transformations in transition metal chalcogenide under high pressure

Journal Article · · Journal of Applied Physics
DOI:https://doi.org/10.1063/1.4945323· OSTI ID:1499544
 [1];  [1];  [2];  [1];  [3];  [1];  [1]
  1. Center for High Pressure Science and Technology Advanced Research, Shanghai (People's Republic of China)
  2. Center for High Pressure Science and Technology Advanced Research, Shanghai (People's Republic of China); Carnegie Inst. of Washington, Washington, DC (United States). Geophysical Lab.
  3. Harbin Inst. of Technology (People's Republic of China). Academy of Fundamental and Interdisciplinary Sciences, Natural Science Research Center
Here, we report comprehensive studies on the high-pressure structural and electrical transport properties of the layered transition metal chalcogenide (Cr2S3) up to 36.3 GPa. A structural phase transition was observed in the rhombohedral Cr2S3 near 16.5 GPa by the synchrotron angle dispersive X-ray diffraction measurement using a diamond anvil cell. Through in situ resistance measurement, the electric resistance value was detected to decrease by an order of three over the pressure range of 7–15 GPa coincided with the structural phase transition. Measurements on the temperature dependence of resistivity indicate that it is a semiconductor-to-metal transition in nature. Additionally, the results were also confirmed by the electronic energy band calculations. Above results may shed a light on optimizing the performance of Cr2S3 based applications under extreme conditions.
Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
National Natural Science Foundation of China (NSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
SC0012704
OSTI ID:
1499544
Alternate ID(s):
OSTI ID: 1354308
OSTI ID: 22594574
Report Number(s):
BNL--209548-2018-JACI
Journal Information:
Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 13 Vol. 119; ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

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Phonons, phase transitions and thermal expansion in LiAlO 2 : an ab initio density functional study journal January 2018
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