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Comparative structural evolution under pressure of powder and single crystals of the layered antiferromagnet FePS$_3$

David M. JarvisCavendish Laboratory , Cambridge University , J.J. Thomson Ave , Cambridge CB3 0HE , UKMatthew CoakCavendish Laboratory , Cambridge University , J.J. Thomson Ave , Cambridge CB3 0HE , UKH. HamidovNavoi State Mining Institute , 72 M. Tarobiy Street , Navoi , 210100 , UzbekistanCharles R. S. HainesPhysics , University of East Anglia , Norwich , NR4 7TJ , UKGiulio LamprontiDepartment of Earth Sciences , University of Cambridge , Downing Street , Cambridge CB2 3EQ , UKCheng LiuBridge UniversityShiyu DengCavendish Laboratory , Cambridge University , J.J. Thomson Ave , Cambridge CB3 0HE , UKDominik DaisenbergerDiamond Light Source , Chilton , Didcot OX11 0DE , United KingdomDavid R. AllanDiamond Light Source , Chilton , Didcot OX11 0DE , United KingdomMark R. WarrenDiamond Light Source , Chilton , Didcot OX11 0DE , United KingdomAndrew WildesInstitut Laue-Langevin , 71 Avenue des Martyrs , 38000 Grenoble , FranceSiddharth SaxenaBridge University

2022en

ABI

Annotatsiya

The layered antiferromagnet FePS$_3$ has been shown to undergo a structural transition under pressure linked to an insulator-metal transition, with two incompatible models previously proposed for the highest-pressure structure. We present a study of the high-pressure crystal structures of FePS$_3$ using both single-crystal and powder x-ray diffraction. We show that the highest pressure transition involves a collapse of the inter-planar spacing of this material, along with an increase in symmetry from a monoclinic to a trigonal structure, to the exclusion of other models. The extent of this volume collapse is shown to be sensitive to the presence of a helium pressure medium in the sample environment, indicating that consideration of such experimental factors is important for understanding high-pressure behaviours in this material.

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DOI: 10.48550/arxiv.2203.07015

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