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Strain phase diagram and physical properties of (110)-oriented PbTiO3 thin films by phase-field simulations
Zhang, H.1,2; Feng, Y. P.3,4; Wang, Y. J.1; Tang, Y. L.1; Zhu, Y. L.1,3; Ma, X. L.1,5
Corresponding AuthorWang, Y. J.(yjwang@imr.ac.cn)
2022-04-15
Source PublicationACTA MATERIALIA
ISSN1359-6454
Volume228Pages:13
AbstractExtensive studies have shown that (110)-oriented ferroelectric films exhibit unique structures and excellent physical properties compared with (001)-oriented ferroelectric films. Showing how the domain structure evolve as the function of epitaxial strain, or establishing a strain phase diagram, should provide valuable information for the controlling of domain structures. In this work, three-dimensional phase field simulations were performed to investigate the phase (domain) structures and physical properties in (110)-oriented PbTiO3 thin films. We constructed the temperature-misfit strain phase diagram of (110) oriented PbTiO3 thin films. Typical phase (domain) structures were analyzed in detail and various types of topological flux-closure domains were found to exist in mixed phases. The experimental results on a special substrate KTaO3, in particular the orientation of domain walls, corroborate the simulation results. We found that the misfit strain could be used to engineer the phase (domain) structures and tune the dielectric, piezoelectric and thermal conductivity properties in (110)-oriented PbTiO3 thin films. These results deepen the understanding and provide a theoretical guidance for the strain engineering of the structures and properties of high-index (110)-oriented PbTiO3 thin films. (C) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
KeywordPhase-field simulations (110)-oriented ferroelectric films

PbTiO3

Phase diagram
Funding OrganizationNational Natural Science Foun-dation of China ; Key Re-search Program of Frontier Sciences CAS ; Shenyang National Laboratory for Materials Science ; Youth Innovation Promotion Association CAS ; Scientific Instrument De-veloping Project of CAS ; China National Postdoctoral Program for Innovative Talents ; China Postdoctoral Science Foundation ; National Natural Science Foundation of Guangdong Province
DOI10.1016/j.actamat.2022.117761
Indexed BySCI
Language英语
Funding ProjectNational Natural Science Foun-dation of China[52122101] ; National Natural Science Foun-dation of China[51971223] ; National Natural Science Foun-dation of China[51922100] ; Key Re-search Program of Frontier Sciences CAS[QYZDJ-SSW-JSC010] ; Shenyang National Laboratory for Materials Science[L2019R06] ; Shenyang National Laboratory for Materials Science[L2019R08] ; Shenyang National Laboratory for Materials Science[L2019F01] ; Shenyang National Laboratory for Materials Science[L2019F13] ; Youth Innovation Promotion Association CAS[2021187] ; Youth Innovation Promotion Association CAS[Y202048] ; Scientific Instrument De-veloping Project of CAS[YJKYYQ20200066] ; China National Postdoctoral Program for Innovative Talents[BX2021348] ; China Postdoctoral Science Foundation[2021M703455] ; National Natural Science Foundation of Guangdong Province[2021A1515110064]
WOS Research AreaMaterials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000789648200007
PublisherPERGAMON-ELSEVIER SCIENCE LTD
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/172534
Collection中国科学院金属研究所
Corresponding AuthorWang, Y. J.
Affiliation1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Wenhua Rd 72, Shenyang 110016, Peoples R China
2.Univ Sci & Technol China, Sch Mat Sci & Engn, Wenhua Rd 72, Shenyang 110016, Peoples R China
3.Bay Area Ctr Electron Microscopy, Songshan Lake Mat Lab, Dongguan 523808, Guangdong, Peoples R China
4.Inst Phys, Chinese Acad Sci, Beijing 100190, Peoples R China
5.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, Langongping Rd 287, Lanzhou 730050, Peoples R China
Recommended Citation
GB/T 7714
Zhang, H.,Feng, Y. P.,Wang, Y. J.,et al. Strain phase diagram and physical properties of (110)-oriented PbTiO3 thin films by phase-field simulations[J]. ACTA MATERIALIA,2022,228:13.
APA Zhang, H.,Feng, Y. P.,Wang, Y. J.,Tang, Y. L.,Zhu, Y. L.,&Ma, X. L..(2022).Strain phase diagram and physical properties of (110)-oriented PbTiO3 thin films by phase-field simulations.ACTA MATERIALIA,228,13.
MLA Zhang, H.,et al."Strain phase diagram and physical properties of (110)-oriented PbTiO3 thin films by phase-field simulations".ACTA MATERIALIA 228(2022):13.
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