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First-principles computation of elasticity of Pb(Zr,Ti)O_3: The importance of elasticity in piezoelectrics

Cohen, R. E. and Heifets, E. and Fu, H. (2001) First-principles computation of elasticity of Pb(Zr,Ti)O_3: The importance of elasticity in piezoelectrics. In: Fundamental Physics of Ferroelectrics 2001. AIP Conference Proceedings. No.582. American Institute of Physics , Melville, N.Y. , pp. 11-22. ISBN 0-7354-0021-0

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We have computed the elastic constant tensor for PbZrTiO_6, PZT 50/50, in the rhombohedral structure. We find it to be very soft elastically, and the Young's modulus to be very anisotropic. Our results for PZT are compared with literature values on other oxide perovskites, and the new experimental results on PMN-PT and PZN-PT. The elastic response is an important part of the electromechanical response, and should be studied experimentally and theoretically to help build up a systemic understanding of electromechanical materials. We find that anisotropy in Young's modulus and elastic softness may be key discriminators in evaluating or improving electromechanical properties.

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Additional Information:© 2001 American Institute of Physics. Issue Date: 3 August 2001. This work was supported by the Office of Naval Research contract number N000149710052. We thank W. Cao and T. Shrout for allowing us to include their new data on PMN-PT and PZN-PT. Computations were performed on the Cray SV1 at the Geophysical Laboratory, supported by NSF EAR-9975753 and the Keck Foundation.
Funding AgencyGrant Number
Office of Naval Research (ONR)N000149710052
Keck FoundationUNSPECIFIED
Subject Keywords:ferroelectric thin films, lead compounds, zirconium compounds, titanium compounds, elastic constants, Young's modulus, stress-strain relations, crystal symmetry
Classification Code:PACS: 77.84.Dy; 62.20.Dc
Record Number:CaltechAUTHORS:20111117-075112891
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Official Citation:First-principles computation of elasticity of Pb(Zr, Ti)O[sub 3]: The importance of elasticity in piezoelectrics R. E. Cohen, E. Heifets, and H. Fu, AIP Conf. Proc. 582, 11 (2001), DOI:10.1063/1.1399685
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:27821
Deposited By: Ruth Sustaita
Deposited On:17 Nov 2011 16:17
Last Modified:26 Dec 2012 14:25

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