Bell, AJ (2015) A classical mechanics model for the interpretation of piezoelectric property data. Journal of Applied Physics, 118. 224103. ISSN 0021-8979
Abstract
In order to provide a means of understanding the relationship between the primary electromechanical coefficients and simple crystal chemistry parameters for piezoelectric materials, a static analysis of a 3 atom, dipolar molecule has been undertaken to derive relationships for elastic compliance sE, dielectric permittivity X and piezoelectric charge coefficient d in terms of an effective ionic charge and two inter-atomic force constants. The relationships demonstrate the mutual interdependence of the three coefficients, in keeping with experimental evidence from a large dataset of commercial piezoelectric materials. It is shown that the electromechnical coupling coefficient k is purely an expression of the asymmetry in the two force constants or bond compliances. The treatment is extended to show that the quadratic electrostriction relation between strain and polarization, in both centrosymmetric and non-centrosymmetric systems, is due to the presence of a non-zero 2nd order term in the bond compliance. Comparison with experimental data explains the counter-intuitive, positive correlation of k with sE and X and supports the proposition that high piezoelectric activity in single crystals is dominated by large compliance coupled with asymmetry in the sub-cell force constants. However, the analysis also shows that in polycrystalline materials, the dielectric anisotropy of the constituent crystals can be more important for attaining large charge coefficients. The model provides a completely new methodology for the interpretation of piezoelectric and electrostrictive property data and suggests methods for rapid screening for high activity in candidate piezoelectric materials, both experimentally and by novel interrogation of ab initio calculations.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | (c) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by-cn-nd/4.0/). |
Keywords: | piezoelectricity |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemical & Process Engineering (Leeds) > Institute for Materials Research (Leeds) |
Funding Information: | Funder Grant number EPSRC EP/M002462/1 |
Depositing User: | Symplectic Publications |
Date Deposited: | 10 Dec 2015 15:53 |
Last Modified: | 12 Feb 2019 13:17 |
Published Version: | http://dx.doi.org/10.1063/1.4937135 |
Status: | Published |
Publisher: | American Institute of Physics (AIP) |
Identification Number: | 10.1063/1.4937135 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:92706 |