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Structure of planar defects in tilted perovskites

Structure of planar defects in tilted perovskites A mathematical framework is developed to describe tilted perovskites using a tensor description of octahedral deformations. The continuity of octahedral tilts through the crystal is described using an operator which relates the deformations of adjacent octahedra; examination of the properties of this operator upon application of symmetry elements allows the space group of tilted perovskites to be obtained. It is shown that the condition of octahedral continuity across a planar defect such as an anti-phase boundary or domain wall necessarily leads to different octahedral tilting at the defect, and a method is given to predict the local tilt system which will occur in any given case. Planar boundaries in the rhombohedral R3c a-a-a- tilt system are considered as an example. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Foundations of Crystallography International Union of Crystallography

Structure of planar defects in tilted perovskites

Structure of planar defects in tilted perovskites


Abstract

A mathematical framework is developed to describe tilted perovskites using a tensor description of octahedral deformations. The continuity of octahedral tilts through the crystal is described using an operator which relates the deformations of adjacent octahedra; examination of the properties of this operator upon application of symmetry elements allows the space group of tilted perovskites to be obtained. It is shown that the condition of octahedral continuity across a planar defect such as an anti-phase boundary or domain wall necessarily leads to different octahedral tilting at the defect, and a method is given to predict the local tilt system which will occur in any given case. Planar boundaries in the rhombohedral R3c a-a-a- tilt system are considered as an example.

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References (30)

Publisher
International Union of Crystallography
Copyright
Copyright (c) 2011 International Union of Crystallography
Subject
perovskites, octahedral tilting, planar defects, local symmetry
ISSN
0108-7673
eISSN
1600-5724
DOI
10.1107/S0108767311002042
pmid
21487177
Publisher site
See Article on Publisher Site

Abstract

A mathematical framework is developed to describe tilted perovskites using a tensor description of octahedral deformations. The continuity of octahedral tilts through the crystal is described using an operator which relates the deformations of adjacent octahedra; examination of the properties of this operator upon application of symmetry elements allows the space group of tilted perovskites to be obtained. It is shown that the condition of octahedral continuity across a planar defect such as an anti-phase boundary or domain wall necessarily leads to different octahedral tilting at the defect, and a method is given to predict the local tilt system which will occur in any given case. Planar boundaries in the rhombohedral R3c a-a-a- tilt system are considered as an example.

Journal

Acta Crystallographica Section A: Foundations of CrystallographyInternational Union of Crystallography

Published: Mar 10, 2011

Keywords: perovskites ; octahedral tilting ; planar defects ; local symmetry .

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