Near-ideal electromechanical coupling in textured piezoelectric ceramics

Yongke Yan; Liwei D. Geng; Hairui Liu; Haoyang Leng; Xiaotian Li; Yu U. Wang; Shashank Priya

doi:10.1038/s41467-022-31165-y

Near-ideal electromechanical coupling in textured piezoelectric ceramics

Yongke Yan, Liwei D. Geng, Hairui Liu, Haoyang Leng, Xiaotian Li, Yu U. Wang, Shashank Priya

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Abstract

Electromechanical coupling factor, k, of piezoelectric materials determines the conversion efficiency of mechanical to electrical energy or electrical to mechanical energy. Here, we provide an fundamental approach to design piezoelectric materials that provide near-ideal magnitude of k, via exploiting the electrocrystalline anisotropy through fabrication of grain-oriented or textured ceramics. Coupled phase field simulation and experimental investigation on <001> textured Pb(Mg_1/3Nb_2/3)O₃-Pb(Zr,Ti)O₃ ceramics illustrate that k can reach same magnitude as that for a single crystal, far beyond the average value of traditional ceramics. To provide atomistic-scale understanding of our approach, we employ a theoretical model to determine the physical origin of k in perovskite ferroelectrics and find that strong covalent bonding between B-site cation and oxygen via d-p hybridization contributes most towards the magnitude of k. This demonstration of near-ideal k value in textured ceramics will have tremendous impact on design of ultra-wide bandwidth, high efficiency, high power density, and high stability piezoelectric devices.

Original language	English (US)
Article number	3565
Journal	Nature communications
Volume	13
Issue number	1
DOIs	https://doi.org/10.1038/s41467-022-31165-y
State	Published - Dec 2022

Bibliographical note

Funding Information:
Y.Y. and H. Leng acknowledge the financial support from DARPA through award number HR00111920001. L.G. and Y.W. acknowledge the Extreme Science and Engineering Discovery Environment (XSEDE). X.L. acknowledges the support of the National Science Foundation through the award number DMR-1936432. H. Liu acknowledges the financial support from Army Research Office through award number W911NF1620010. S.P. acknowledges the support of the National Science Foundation through CREST Center for Renewable Energy and Advanced Materials (CREAM) award number HRD 1547771.

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© 2022, The Author(s).

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abstract = "Electromechanical coupling factor, k, of piezoelectric materials determines the conversion efficiency of mechanical to electrical energy or electrical to mechanical energy. Here, we provide an fundamental approach to design piezoelectric materials that provide near-ideal magnitude of k, via exploiting the electrocrystalline anisotropy through fabrication of grain-oriented or textured ceramics. Coupled phase field simulation and experimental investigation on <001> textured Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3 ceramics illustrate that k can reach same magnitude as that for a single crystal, far beyond the average value of traditional ceramics. To provide atomistic-scale understanding of our approach, we employ a theoretical model to determine the physical origin of k in perovskite ferroelectrics and find that strong covalent bonding between B-site cation and oxygen via d-p hybridization contributes most towards the magnitude of k. This demonstration of near-ideal k value in textured ceramics will have tremendous impact on design of ultra-wide bandwidth, high efficiency, high power density, and high stability piezoelectric devices.",

author = "Yongke Yan and Geng, \{Liwei D.\} and Hairui Liu and Haoyang Leng and Xiaotian Li and Wang, \{Yu U.\} and Shashank Priya",

note = "Funding Information: Y.Y. and H. Leng acknowledge the financial support from DARPA through award number HR00111920001. L.G. and Y.W. acknowledge the Extreme Science and Engineering Discovery Environment (XSEDE). X.L. acknowledges the support of the National Science Foundation through the award number DMR-1936432. H. Liu acknowledges the financial support from Army Research Office through award number W911NF1620010. S.P. acknowledges the support of the National Science Foundation through CREST Center for Renewable Energy and Advanced Materials (CREAM) award number HRD 1547771. Publisher Copyright: {\textcopyright} 2022, The Author(s).",

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AU - Wang, Yu U.

AU - Priya, Shashank

N1 - Funding Information: Y.Y. and H. Leng acknowledge the financial support from DARPA through award number HR00111920001. L.G. and Y.W. acknowledge the Extreme Science and Engineering Discovery Environment (XSEDE). X.L. acknowledges the support of the National Science Foundation through the award number DMR-1936432. H. Liu acknowledges the financial support from Army Research Office through award number W911NF1620010. S.P. acknowledges the support of the National Science Foundation through CREST Center for Renewable Energy and Advanced Materials (CREAM) award number HRD 1547771. Publisher Copyright: © 2022, The Author(s).

PY - 2022/12

Y1 - 2022/12

N2 - Electromechanical coupling factor, k, of piezoelectric materials determines the conversion efficiency of mechanical to electrical energy or electrical to mechanical energy. Here, we provide an fundamental approach to design piezoelectric materials that provide near-ideal magnitude of k, via exploiting the electrocrystalline anisotropy through fabrication of grain-oriented or textured ceramics. Coupled phase field simulation and experimental investigation on <001> textured Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3 ceramics illustrate that k can reach same magnitude as that for a single crystal, far beyond the average value of traditional ceramics. To provide atomistic-scale understanding of our approach, we employ a theoretical model to determine the physical origin of k in perovskite ferroelectrics and find that strong covalent bonding between B-site cation and oxygen via d-p hybridization contributes most towards the magnitude of k. This demonstration of near-ideal k value in textured ceramics will have tremendous impact on design of ultra-wide bandwidth, high efficiency, high power density, and high stability piezoelectric devices.

AB - Electromechanical coupling factor, k, of piezoelectric materials determines the conversion efficiency of mechanical to electrical energy or electrical to mechanical energy. Here, we provide an fundamental approach to design piezoelectric materials that provide near-ideal magnitude of k, via exploiting the electrocrystalline anisotropy through fabrication of grain-oriented or textured ceramics. Coupled phase field simulation and experimental investigation on <001> textured Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3 ceramics illustrate that k can reach same magnitude as that for a single crystal, far beyond the average value of traditional ceramics. To provide atomistic-scale understanding of our approach, we employ a theoretical model to determine the physical origin of k in perovskite ferroelectrics and find that strong covalent bonding between B-site cation and oxygen via d-p hybridization contributes most towards the magnitude of k. This demonstration of near-ideal k value in textured ceramics will have tremendous impact on design of ultra-wide bandwidth, high efficiency, high power density, and high stability piezoelectric devices.

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Near-ideal electromechanical coupling in textured piezoelectric ceramics

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