Intrinsic Piezoelectric Anisotropy of Tetragonal ABO3 Perovskites: A High-Throughput Study Article Swipe
Fanhao Jia
,
Shaowen Xu
,
Shunbo Hu
,
Jianguo Chen
,
Yongchen Wang
,
Yuan Li
,
Wei Ren
,
Jinrong Cheng
·
YOU?
·
· 2023
· Open Access
·
· DOI: https://doi.org/10.21203/rs.3.rs-3480707/v1
YOU?
·
· 2023
· Open Access
·
· DOI: https://doi.org/10.21203/rs.3.rs-3480707/v1
A comprehensive understand of the intrinsic piezoelectric anisotropy stemming from diverse chemical and physical factors is a key step for the rational design of highly anisotropic materials. We performed high-throughput calculations on tetragonal ABO3 perovskites to investigate the piezoelectricity and the interplay between lattice, displacement, polarization and elasticity. Among the 123 types of perovskites, the structural tetragonality is naturally divided into two categories: normal tetragonal (c/a ratio < 1.1) and super-tetragonal (c/a ratio > 1.17), exhibiting distinct ferroelectric, elastic, and piezoelectric properties. Charge analysis revealed the mechanisms underlying polarization saturation and piezoelectricity suppression in the super-tetragonal region, which also produces an inherent contradiction between high d33 and large piezoelectric anisotropy ratio |d33/d31|. The polarization axis and elastic softness direction jointly determine the maximum longitudinal piezoelectric response d33 direction. The validity and deficiencies of the widely utilized |d33/d31| ratio for representing piezoelectric anisotropy were reevaluated.
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Metadata
- Type
- preprint
- Language
- en
- Landing Page
- https://doi.org/10.21203/rs.3.rs-3480707/v1
- https://www.researchsquare.com/article/rs-3480707/latest.pdf
- OA Status
- gold
- References
- 49
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4387976565
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Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W4387976565Canonical identifier for this work in OpenAlex
- DOI
-
https://doi.org/10.21203/rs.3.rs-3480707/v1Digital Object Identifier
- Title
-
Intrinsic Piezoelectric Anisotropy of Tetragonal ABO3 Perovskites: A High-Throughput StudyWork title
- Type
-
preprintOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2023Year of publication
- Publication date
-
2023-10-27Full publication date if available
- Authors
-
Fanhao Jia, Shaowen Xu, Shunbo Hu, Jianguo Chen, Yongchen Wang, Yuan Li, Wei Ren, Jinrong ChengList of authors in order
- Landing page
-
https://doi.org/10.21203/rs.3.rs-3480707/v1Publisher landing page
- PDF URL
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https://www.researchsquare.com/article/rs-3480707/latest.pdfDirect link to full text PDF
- Open access
-
YesWhether a free full text is available
- OA status
-
goldOpen access status per OpenAlex
- OA URL
-
https://www.researchsquare.com/article/rs-3480707/latest.pdfDirect OA link when available
- Concepts
-
Piezoelectricity, Tetragonal crystal system, Anisotropy, Materials science, Polarization (electrochemistry), Ferroelectricity, Condensed matter physics, Piezoelectric coefficient, Crystallography, Crystal structure, Chemistry, Optics, Physics, Optoelectronics, Composite material, Dielectric, Physical chemistryTop concepts (fields/topics) attached by OpenAlex
- Cited by
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0Total citation count in OpenAlex
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49Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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| primary_location.pdf_url | https://www.researchsquare.com/article/rs-3480707/latest.pdf |
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| primary_location.landing_page_url | https://doi.org/10.21203/rs.3.rs-3480707/v1 |
| publication_date | 2023-10-27 |
| publication_year | 2023 |
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