Strain phase diagram and physical properties of (110)-oriented PbTiO3 thin films by phase-field simulations

doi:10.1016/j.actamat.2022.117761

IMR OpenIR

	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
通讯作者	Wang, Y. J.(yjwang@imr.ac.cn)
	2022-04-15
发表期刊	ACTA MATERIALIA
ISSN	1359-6454
卷号	228 页码:13
摘要	Extensive 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.
关键词	Phase-field simulations (110)-oriented ferroelectric films PbTiO3 Phase diagram
资助者	National 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
DOI	10.1016/j.actamat.2022.117761
收录类别	SCI
语种	英语
资助项目	National 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研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000789648200007
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：8[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/172534
专题	中国科学院金属研究所
通讯作者	Wang, Y. J.
作者单位	1.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
推荐引用方式 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.