Structural Transformation Pathways of Multiferroic BiFeO3 under High Pressures

Wu, Ye; Han, Xi; Huang, Haijun

doi:10.1021/acs.jpcc.8b00977

Structural Transformation Pathways of Multiferroic BiFeO₃ under High Pressures

Journal Article · Tue Mar 06 00:00:00 EST 2018 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.8b00977· OSTI ID:1434715

^[1]; Han, Xi ^[1]; Huang, Haijun ^[1]

Wuhan Univ. of Technology, Hubei (China)

High-pressure phase transitions in multiferroic BiFeO₃ have been investigated by synchrotron radiation X-ray diffraction up to ~54 GPa at room temperature. BiFeO₃ exhibits a complex structural behavior under high pressures. Four phase transitions with the phase sequence R3c → OI and OIII → OI → Pnma → Pnm2₁ were observed at ~3, ~6, ~12, and ~45 GPa, respectively. Because of octahedral tilts and cation displacements under high pressures, BiFeO₃ presents large unit cells and complex superstructures or domain structures between the stable R3c and Pnma phases. The OI and OIII phases have superstructure lattices √2a_pc x 3√2b_pc x c_pc and √2a_pc x 2√2b_pc x 2c_pc, respectively, and the OIII phase is isostructural with antiferroelectric PbZrO₃ (space group: Pbam). Here, the Pnma → Pnm2₁ transition at ~45 GPa indicates the occurrence of a large unit cell and an increase of the structural distortion. The Pnm2₁ phase with a superstructure lattice 2√2a_pc x 2b_pc x √2c_pc has a group–subgroup relation with the Pnma phase.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: NSF; National Natural Science Foundation of China; USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357; FG02-94ER14466

OSTI ID:: 1434715

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 12 Vol. 122; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
chemical structure
lattices
phase transitions
physical and chemical processes
superstructures