Pressure-induced structural, electronic, and magnetic effects in BiFeO3

Abstract

We present a first-principles study of multiferroic BiFeO3 at high pressures. Our work reveals the main structural (change in Bi's coordination and loss of ferroelectricity), electronic (spin crossover and metallization), and magnetic (loss of order) effects favored by compression and how they are connected. Our results are consistent with the striking manifold transition observed experimentally by Gavriliuk et al. [Phys. Rev. B 77, 155112 (2008)] and provide an explanation for it.

4 pages with 4 figures embedded. More information at http://www.icmab.es/dmmis/leem/jorge

References in corpus (5)

• First-principles study of spontaneous polarization in multiferroic BiFeO${}_3$
• Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite
• The beta Phase of Multiferroic Bismuth Ferrite and its beta-gamma Metal-Insulator Transition
• Origin of magnetoelectric behavior in BiFeO${}_3$
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• Effect of high pressure on multiferroic BiFeO3
• Effect of Chemical Pressure on the Magnetic Transition of Multiferroic Ca-BiFeO3
• Structure and spin dynamics of multiferroric BiFeO${}_3$
• Multiple high-pressure phase transitions in BiFeO3
• The beta to gamma (insulator-metal) transition in BiFeO3
• Tuning the atomic and domain structure of epitaxial films of multiferroic BiFeO3
• Phase transitions and ferroelectrics: revival and the future in the field
• Phonon Spectroscopy Near Phase Transition Temperatures in Multferroic BiFeO3 Epitaxial Thin Films
• Magnetism and electronic properties of BiFeO3 under lower pressure
• Multiple magnetic transitions in multiferroic BiMnO3
• Pressure-driven metal-insulator transition in BiFeO${}_3$ from Dynamical Mean-Field Theory
• Magneto-electric coupling in type-I multiferroic ScFeO${}_3$
• Structural Origin of the Metal-Insulator Transition of Multiferroic BiFeO3