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

DOI: 10.1103/PhysRevB.107.054106

Authors: David M. Jarvis (Institut Laue-Langevin; University of Cambridge) , Matthew J. Coak (University of Warwick; University of Cambridge) , Hayrullo Hamidov (Cambridge University; Navoi State University of Mining and Technologies) , Charles R. S. Haines (University of East Anglia; University of Cambridge) , Giulio I. Lampronti (University of Cambridge) , Cheng Liu (University of Cambridge) , Shiyu Deng (University of Cambridge) , Dominik Daisenberger (Diamond Light Source) , David R. Allan (Diamond Light Source) , Mark R. Warren (Diamond Light Source) , Andrew R. Wildes (Institut Laue-Langevin) , Siddharth S. Saxena (University of Cambridge)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review B , VOL 107

State: Published (Approved)
Published: February 2023
Diamond Proposal Number(s): 15949 , 23524

Abstract: FePS 3 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.

Diamond Keywords: Antiferromagnetism

Subject Areas: Materials, Physics


Instruments: I15-Extreme Conditions , I19-Small Molecule Single Crystal Diffraction

Added On: 24/02/2023 08:47

Discipline Tags:

Physics Magnetism Materials Science

Technical Tags:

Diffraction Single Crystal X-ray Diffraction (SXRD) X-ray Powder Diffraction