Local structure underlying anomalous tetragonal distortions in BiFeO 3-PbTiO3 ferroelectrics

I. Levin; V. Krayzman; M. G. Tucker; J. C. Woicik

doi:10.1063/1.4884946

Local structure underlying anomalous tetragonal distortions in BiFeO ₃-PbTiO₃ ferroelectrics

I. Levin, V. Krayzman, M. G. Tucker, J. C. Woicik

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Abstract

The local structure of tetragonal BiFeO₃-PbTiO₃ solid solutions featuring anomalous lattice distortions has been determined using simultaneous fitting of neutron total scattering and extended X-ray absorption fine structure data. On the local scale, the large tetragonal distortion, promoted by the displacements of the A-cations (Bi and Pb), is accommodated primarily by the [FeO₆] octahedra, even though both Fe and Ti acquire (5+1)-fold coordination. Bi cations exhibit considerably larger displacements than Pb. The combination of the A-cation displacements and the ability of M-cations to adopt 5-fold coordination is suggested as key for stabilizing the large tetragonality in BiMO₃-PbTiO₃ systems.

Original language	English
Article number	242913
Journal	Applied Physics Letters
Volume	104
Issue number	24
DOIs	https://doi.org/10.1063/1.4884946
State	Published - Jun 16 2014
Externally published	Yes

Funding

Funders	Funder number
Office of Science
U.S. Department of Energy

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title = "Local structure underlying anomalous tetragonal distortions in BiFeO 3-PbTiO3 ferroelectrics",

abstract = "The local structure of tetragonal BiFeO3-PbTiO3 solid solutions featuring anomalous lattice distortions has been determined using simultaneous fitting of neutron total scattering and extended X-ray absorption fine structure data. On the local scale, the large tetragonal distortion, promoted by the displacements of the A-cations (Bi and Pb), is accommodated primarily by the [FeO6] octahedra, even though both Fe and Ti acquire (5+1)-fold coordination. Bi cations exhibit considerably larger displacements than Pb. The combination of the A-cation displacements and the ability of M-cations to adopt 5-fold coordination is suggested as key for stabilizing the large tetragonality in BiMO3-PbTiO3 systems.",

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AU - Levin, I.

AU - Krayzman, V.

AU - Tucker, M. G.

AU - Woicik, J. C.

PY - 2014/6/16

Y1 - 2014/6/16

N2 - The local structure of tetragonal BiFeO3-PbTiO3 solid solutions featuring anomalous lattice distortions has been determined using simultaneous fitting of neutron total scattering and extended X-ray absorption fine structure data. On the local scale, the large tetragonal distortion, promoted by the displacements of the A-cations (Bi and Pb), is accommodated primarily by the [FeO6] octahedra, even though both Fe and Ti acquire (5+1)-fold coordination. Bi cations exhibit considerably larger displacements than Pb. The combination of the A-cation displacements and the ability of M-cations to adopt 5-fold coordination is suggested as key for stabilizing the large tetragonality in BiMO3-PbTiO3 systems.

AB - The local structure of tetragonal BiFeO3-PbTiO3 solid solutions featuring anomalous lattice distortions has been determined using simultaneous fitting of neutron total scattering and extended X-ray absorption fine structure data. On the local scale, the large tetragonal distortion, promoted by the displacements of the A-cations (Bi and Pb), is accommodated primarily by the [FeO6] octahedra, even though both Fe and Ti acquire (5+1)-fold coordination. Bi cations exhibit considerably larger displacements than Pb. The combination of the A-cation displacements and the ability of M-cations to adopt 5-fold coordination is suggested as key for stabilizing the large tetragonality in BiMO3-PbTiO3 systems.

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Local structure underlying anomalous tetragonal distortions in BiFeO ₃-PbTiO₃ ferroelectrics

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