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Symmetry and defects in rhombohedral single-crystalline Na0.5Bi0.5TiO3

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Beanland, R. and Thomas, Pam A. (2014) Symmetry and defects in rhombohedral single-crystalline Na0.5Bi0.5TiO3. Physical Review B (Condensed Matter and Materials Physics), Volume 89 (Number 17). doi:10.1103/PhysRevB.89.174102 ISSN 1098-0121.

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Official URL: http://dx.doi.org/10.1103/PhysRevB.89.174102

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Abstract

Recent work has indicated that the symmetry of the lead-free piezoelectric perovskite Na0.5Bi0.5TiO3 can be changed from monoclinic to rhombohedral through the application of an electric field, which may have implications for the study and design of piezoelectric materials close to a morphotropic phase boundary. We have examined high-quality, single-crystal Na0.5Bi0.5TiO3 using transmission electron microscopy and have used digital electron diffraction to observe the symmetry of defect-free regions of material on length scales of a few
nanometers. This unequivocally demonstrates that the material is rhombohedral with space group R3c on this length scale. We find that a model that allows disordered displacements of Bi atoms from their nominal sites in the R3c symmetry, while retaining this symmetry on average, gives a very significant improvement in fit to simulations. We use conventional transmission electron microscopy to enumerate the different types of defects that are observed in other regions of the crystal and find a complex microstructure of antiphase boundaries, domain walls, and tetragonal platelets. Their interaction leads to the formation of very high densities of nanotwins. We show that these are expected to have a variable monoclinic Cc symmetry that is driven by the constraint of continuity of the crystal across a domain wall.

Item Type: Journal Article
Divisions: Faculty of Science, Engineering and Medicine > Science > Physics
Journal or Publication Title: Physical Review B (Condensed Matter and Materials Physics)
Publisher: American Physical Society
ISSN: 1098-0121
Official Date: 8 May 2014
Dates:
DateEvent
8 May 2014Published
20 December 2014Submitted
Volume: Volume 89
Number: Number 17
DOI: 10.1103/PhysRevB.89.174102
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access

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