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 https://doi.org/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 |
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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: | https://doi.org/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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