A structural study of PrCrO3 under extreme conditions: a comparison with the effects of doping

Philos Trans A Math Phys Eng Sci. 2023 Oct 16;381(2258):20220332. doi: 10.1098/rsta.2022.0332. Epub 2023 Aug 28.

Abstract

The nuclear and magnetic structure of [Formula: see text] has been investigated using neutron and X-ray powder diffraction as a function of pressure and temperature. The orthorhombic symmetry (space group [Formula: see text]) remains stable up to the highest temperature (1500 K) and pressure (approx. [Formula: see text]) considered. There is a crossover in the magnitude of the a- and b-lattice parameters at approximately 1135 K, caused by competing effects of octahedral tilting and distortion. The material is antiferromagnetic ([Formula: see text] K) with [Formula: see text] symmetry, with a maximum moment of [Formula: see text] on the [Formula: see text] sites aligned along the direction of the [Formula: see text]-axis. The application of pressure shows an abnormal softening in the unit-cell volume, which is suggestive of a continuous approach to a second-order phase transition. Raman spectroscopy measurements at ambient temperature were collected as a function of pressure up to approximately [Formula: see text] GPa, with discontinuous mode behaviour further suggesting the existence of a transition above 7 GPa. The measured structural changes in [Formula: see text] are compared extensively in the wider context of other lanthanide orthochromites, and the comparative effects of A- and B-site substitution on the polyhedral tilts and distortion are discussed. This article is part of the theme issue 'Exploring the length scales, timescales and chemistry of challenging materials (Part 1)'.

Keywords: distortion; lanthanide-perovskites; orthochromites; polyhedral-tilting; structure.