Comparative structural evolution under pressure of powder and single crystals of the layered antiferromagnet FePS3

Jarvis, David M., Coak, Matthew J., Hamidov, Hayrullo, Haines, Charles R. S. ORCID:, Lampronti, Giulio I., Liu, Cheng, Deng, Shiyu, Daisenberger, Dominik, Allan, David R., Warren, Mark R., Wildes, Andrew R. and Saxena, Siddharth S. (2023) Comparative structural evolution under pressure of powder and single crystals of the layered antiferromagnet FePS3. Physical Review B, 107 (5). ISSN 1098-0121

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FePS3 is a layered magnetic van der Waals compound that undergoes a Mott insulator-metal transition under applied pressure. The transition has an associated change in the crystal symmetry and magnetic structure. Understanding the underlying physics of these transitions requires a detailed understanding of the crystal structure as a function of pressure. Two conflicting models have previously been proposed for the evolution of the structure with pressure. To settle the disagreement, we present a study of the pressure-dependent crystal structures using both single-crystal and powder x-ray diffraction measurements. We show unambiguously that the highest-pressure transition involves a collapse of the interplanar spacing, along with an increase in symmetry from a monoclinic to a trigonal space group, to the exclusion of other models. Our collected results are crucial for understanding high-pressure behavior in these materials and demonstrate a clear and complete methodology for exploring complex two-dimensional material structures under pressure.

Item Type: Article
Additional Information: Funding Information: This research was supported by United Kingdom Research and Innovation Global Challenges Research Fund COMPASS Grant No. ES/P010849/1 and Cambridge Central Asia Forum, Jesus College, Cambridge. This project has received funding from the U.K. Department of Business, Environment and Industrial Strategy (BEIS) to support collaboration between the Cavendish Laboratory and Navoi State University of Mining and Technologies. We thank the British Embassy in Tashkent for their support. This work was carried out with the support of the Diamond Light Source through the award of beamtime for Proposals No. EE15949 and No. CY23524.
Uncontrolled Keywords: electronic, optical and magnetic materials,condensed matter physics ,/dk/atira/pure/subjectarea/asjc/2500/2504
Faculty \ School: Faculty of Science > School of Physics
UEA Research Groups: Faculty of Science > Research Groups > Centre for Photonics and Quantum Science
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Depositing User: LivePure Connector
Date Deposited: 07 Aug 2023 10:31
Last Modified: 07 Oct 2023 01:18
DOI: 10.1103/PhysRevB.107.054106

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