The intrinsic elasticity of twin walls: Ferrielectric twin walls in ferroelastic CaTiO[sub 3]

Goncalves-Ferreira, L. and Redfern, S. A. T. and Artacho, E. and Salje, E. K. H. (2009) The intrinsic elasticity of twin walls: Ferrielectric twin walls in ferroelastic CaTiO[sub 3]. Applied Physics Letters, 94 (8). 081903-3. DOI 10.1063/1.3089690

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Abstract

Computer simulation of ferrielectric domain walls in ferroelastic CaTiO3 demonstrate that twin walls possess almost the same compressibility as the bulk. The Ti–Ti repetition length inside the wall is approximately 0.2% greater than the equivalent lattice parameter of the bulk. A slight reduction in the uniaxial compressibility perpendicular to the twin wall is compared with predictions of various theoretical models which give either large softening or large hardening. Simple spring models predict correctly that any change is expected to be small for relevant potentials far from the ferroelastic transition point.

Item Type: Article
Uncontrolled Keywords: 08AREP; IA57;
Subjects: 03 - Mineral Sciences
Divisions: 03 - Mineral Sciences
Journal or Publication Title: Applied Physics Letters
Volume: 94
Page Range: 081903-3
Identification Number: 10.1063/1.3089690
Depositing User: Sarah Humbert
Date Deposited: 14 May 2009 16:09
Last Modified: 23 Jul 2013 09:54
URI: http://eprints.esc.cam.ac.uk/id/eprint/986

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