STRUCTURAL ORIGIN OF THE METAL-INSULATOR TRANSITION OF MULTIFERROIC BiFeO3

STRUCTURAL ORIGIN OF THE METAL-INSULATOR TRANSITION OF MULTIFERROIC BiFeO3


Abstract

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 o C at atmospheric pressure and ca. 45 GPa at ambient temperature). Based on the experimental results, we argue that the metallic γ-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 β-phase determined definitively by the neutron scattering study of Arnold et al .[Phys. Rev. Lett. 2009]; the details of this β-phase had also been controversial, with a remarkable collection of five crystal classes (cubic, tetragonal, orthorhombic, monoclinic, and rhombohedral!) all claimed in recent publications.


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