Polarization alignment, phase transition, and piezoelectricity development in polycrystalline 0.5Ba(Zr0.2 Ti0.8)O3-0.5(Ba0.7 Ca0.3)TiO3

Hanzheng Guo; Brian K. Voas; Shujun Zhang; Chao Zhou; Xiaobing Ren; Scott P. Beckman; Xiaoli Tan

doi:10.1103/PhysRevB.90.014103

Polarization alignment, phase transition, and piezoelectricity development in polycrystalline 0.5Ba(Zr0.2 Ti0.8)O3-0.5(Ba0.7 Ca0.3)TiO3

Hanzheng Guo
, Brian K. Voas
, Shujun Zhang
, Chao Zhou
, Xiaobing Ren
, Scott P. Beckman
, Xiaoli Tan

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

80 Citations (Scopus)

Abstract

The microstructural origin of the exceptionally high piezoelectric response of polycrystalline 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 is investigated using in situ transmission electron microscopy, in addition to a wide variety of bulk measurements and first-principles calculations. A direct correlation is established relating a domain wall-free state to the ultrahigh piezoelectric d33 coefficient in this BaTiO3-based composition. The results suggest that the unique single-domain state formed during electrical poling is a result of a structural transition from coexistent rhombohedral and tetragonal phases to an orthorhombic phase that has an anomalously low elastic modulus. First-principles calculations indicate that incorporating Ca2+ and Zr4+ into BaTiO3 reduces the differences in structure and energy of the variant perovskite phases, and 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 is identified as unique because the variant phases become almost indistinguishable. The structural instability and elastic softening observed here are responsible for the excellent piezoelectric properties of this lead-free ceramic. © 2014 American Physical Society.

Original language	English
Article number	014103
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	90
Issue number	1
DOIs	https://doi.org/10.1103/PhysRevB.90.014103
Publication status	Published - 14 Jul 2014
Externally published	Yes

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Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

Funding

The National Science Foundation, through Grant No. DMR-1037898, supported this work.

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@article{c11a1b4f4b9f4a46899b6d2fca3072ae,

title = "Polarization alignment, phase transition, and piezoelectricity development in polycrystalline 0.5Ba(Zr0.2 Ti0.8)O3-0.5(Ba0.7 Ca0.3)TiO3",

abstract = "The microstructural origin of the exceptionally high piezoelectric response of polycrystalline 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 is investigated using in situ transmission electron microscopy, in addition to a wide variety of bulk measurements and first-principles calculations. A direct correlation is established relating a domain wall-free state to the ultrahigh piezoelectric d33 coefficient in this BaTiO3-based composition. The results suggest that the unique single-domain state formed during electrical poling is a result of a structural transition from coexistent rhombohedral and tetragonal phases to an orthorhombic phase that has an anomalously low elastic modulus. First-principles calculations indicate that incorporating Ca2+ and Zr4+ into BaTiO3 reduces the differences in structure and energy of the variant perovskite phases, and 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 is identified as unique because the variant phases become almost indistinguishable. The structural instability and elastic softening observed here are responsible for the excellent piezoelectric properties of this lead-free ceramic. {\textcopyright} 2014 American Physical Society.",

author = "Hanzheng Guo and Voas, \{Brian K.\} and Shujun Zhang and Chao Zhou and Xiaobing Ren and Beckman, \{Scott P.\} and Xiaoli Tan",

note = "Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].",

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Polarization alignment, phase transition, and piezoelectricity development in polycrystalline 0.5Ba(Zr0.2 Ti0.8)O3-0.5(Ba0.7 Ca0.3)TiO3. / Guo, Hanzheng; Voas, Brian K.; Zhang, Shujun et al.
In: Physical Review B - Condensed Matter and Materials Physics, Vol. 90, No. 1, 014103, 14.07.2014.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

TY - JOUR

T1 - Polarization alignment, phase transition, and piezoelectricity development in polycrystalline 0.5Ba(Zr0.2 Ti0.8)O3-0.5(Ba0.7 Ca0.3)TiO3

AU - Guo, Hanzheng

AU - Voas, Brian K.

AU - Zhang, Shujun

AU - Zhou, Chao

AU - Ren, Xiaobing

AU - Beckman, Scott P.

AU - Tan, Xiaoli

N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

PY - 2014/7/14

Y1 - 2014/7/14

N2 - The microstructural origin of the exceptionally high piezoelectric response of polycrystalline 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 is investigated using in situ transmission electron microscopy, in addition to a wide variety of bulk measurements and first-principles calculations. A direct correlation is established relating a domain wall-free state to the ultrahigh piezoelectric d33 coefficient in this BaTiO3-based composition. The results suggest that the unique single-domain state formed during electrical poling is a result of a structural transition from coexistent rhombohedral and tetragonal phases to an orthorhombic phase that has an anomalously low elastic modulus. First-principles calculations indicate that incorporating Ca2+ and Zr4+ into BaTiO3 reduces the differences in structure and energy of the variant perovskite phases, and 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 is identified as unique because the variant phases become almost indistinguishable. The structural instability and elastic softening observed here are responsible for the excellent piezoelectric properties of this lead-free ceramic. © 2014 American Physical Society.

AB - The microstructural origin of the exceptionally high piezoelectric response of polycrystalline 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 is investigated using in situ transmission electron microscopy, in addition to a wide variety of bulk measurements and first-principles calculations. A direct correlation is established relating a domain wall-free state to the ultrahigh piezoelectric d33 coefficient in this BaTiO3-based composition. The results suggest that the unique single-domain state formed during electrical poling is a result of a structural transition from coexistent rhombohedral and tetragonal phases to an orthorhombic phase that has an anomalously low elastic modulus. First-principles calculations indicate that incorporating Ca2+ and Zr4+ into BaTiO3 reduces the differences in structure and energy of the variant perovskite phases, and 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 is identified as unique because the variant phases become almost indistinguishable. The structural instability and elastic softening observed here are responsible for the excellent piezoelectric properties of this lead-free ceramic. © 2014 American Physical Society.

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U2 - 10.1103/PhysRevB.90.014103

DO - 10.1103/PhysRevB.90.014103

M3 - RGC 21 - Publication in refereed journal

SN - 1098-0121

VL - 90

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 1

M1 - 014103

ER -

Polarization alignment, phase transition, and piezoelectricity development in polycrystalline 0.5Ba(Zr0.2 Ti0.8)O3-0.5(Ba0.7 Ca0.3)TiO3

Abstract

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