2009/01/23 by Simon A. T. Redfern, S. A. T. Redfern, Redfern, S. A. T. +10
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Ferroelectric and Piezoelectric Materials #Materials Science (cond-mat.mtrl-sci) #Multiferroics and related materials #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.0901.3748
5 figures
openalex publication_date 2009/01/23 · arxiv created 2009/02/05 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We report X-ray structural studies of the metal-insulator phase transition in bismuth ferrite, BiFeO3, both as a function of temperature and of pressure (931 oC at atmospheric pressure and ca. 45 GPa at ambient temperature). Based on the experimental results, we argue that the metallic gamma-phase is not rhombohedral but is instead the same cubic Pm3m structure whether obtained via high temperature or high pressure, that the MI transition is second order or very nearly so, that this is a band-type transition due to semi-metal band overlap in the cubic phase and not a Mott transition, and that it is primarily structural and not an S=5/2 to S=1/2 high-spin/low-spin electronic transition. Our data are compatible with the orthorhombic Pbnm structure for the beta-phase determined definitively by the neutron scattering study of Arnold et al .[Phys. Rev. Lett. 2009]; the details of this beta-phase had also been controversial, with a remarkable collection of five crystal classes (cubic, tetragonal, orthorhombic, monoclinic, and rhombohedral!) all claimed in recent publications.