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Origin of the large piezoelectric activity in (1 − x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 ceramics

Acosta, Matias and Khakpash, Nasser and Someya, Takumi and Novak, Nikola and Jo, Wook and Nagata, Hajime and Rossetti, George A. and Rödel, Jürgen (2015):
Origin of the large piezoelectric activity in (1 − x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 ceramics.
In: Physical Review B, pp. 104108(1-11), 91, (10), ISSN 1098-0121, [Online-Edition: http://dx.doi.org/10.1103/PhysRevB.91.104108],
[Article]

Abstract

The diffusionless pseudobinary phase diagram, monodomain properties, and free energy of (1 − x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 are computed for comparison with experimental results. Specifically, the variation of the spontaneous polarization, anisotropy energy, and free energy with respect to temperature, composition, and polarization direction are discussed relative to the results of resonant piezoelectricmeasurements performed over a wide compositional range as a function of temperature. The phase angle, relative permittivity, piezoelectric and coupling coefficients, and elastic compliances were used to investigate relations between the computed and measured pseudobinary phase diagrams and the measured piezoelectric and elastic properties. It was found that d33 values along the orthorhombic to tetragonal phase boundary are ∼30% higher than those both along the rhombohedral to orthorhombic phase boundary and in the region where phases converge. It is shown that the reduction in anisotropy energy in these regions of the phase diagram is by itself insufficient to explain the measured properties. The highest small signal piezoelectric activity is found along the orthorhombic to tetragonal phase boundary due to a combination of reduced anisotropy energy, high remanent/spontaneous polarization, and increased elastic softening. The combined computed and experimental results are used to demonstrate that the interdependent behavior of these properties should be considered in the design of engineered piezoelectric ceramics.

Item Type: Article
Erschienen: 2015
Creators: Acosta, Matias and Khakpash, Nasser and Someya, Takumi and Novak, Nikola and Jo, Wook and Nagata, Hajime and Rossetti, George A. and Rödel, Jürgen
Title: Origin of the large piezoelectric activity in (1 − x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 ceramics
Language: English
Abstract:

The diffusionless pseudobinary phase diagram, monodomain properties, and free energy of (1 − x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 are computed for comparison with experimental results. Specifically, the variation of the spontaneous polarization, anisotropy energy, and free energy with respect to temperature, composition, and polarization direction are discussed relative to the results of resonant piezoelectricmeasurements performed over a wide compositional range as a function of temperature. The phase angle, relative permittivity, piezoelectric and coupling coefficients, and elastic compliances were used to investigate relations between the computed and measured pseudobinary phase diagrams and the measured piezoelectric and elastic properties. It was found that d33 values along the orthorhombic to tetragonal phase boundary are ∼30% higher than those both along the rhombohedral to orthorhombic phase boundary and in the region where phases converge. It is shown that the reduction in anisotropy energy in these regions of the phase diagram is by itself insufficient to explain the measured properties. The highest small signal piezoelectric activity is found along the orthorhombic to tetragonal phase boundary due to a combination of reduced anisotropy energy, high remanent/spontaneous polarization, and increased elastic softening. The combined computed and experimental results are used to demonstrate that the interdependent behavior of these properties should be considered in the design of engineered piezoelectric ceramics.

Journal or Publication Title: Physical Review B
Volume: 91
Number: 10
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Nonmetallic-Inorganic Materials
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 17 Mar 2015 08:29
Official URL: http://dx.doi.org/10.1103/PhysRevB.91.104108
Identification Number: doi:10.1103/PhysRevB.91.104108
Funders: This work was supported by the AdRIA Hesse State Center forAdaptronics and Deutsche Forschungsgemeinschaft through the Sonderforschungsbereich 595 as well as the Leibniz program under RO954/22-1.
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