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

doi:10.1016/j.actamat.2022.117761

	Strain phase diagram and physical properties of (110)-oriented PbTiO3 thin films by phase-field simulations
	Zhang, H.1,5; Feng, Y.P.2,3; Wang, Y.J.1; Tang, Y.L.1; Zhu, Y.L.1,2; Ma, X.L.1,4
刊名	Acta Materialia
	2022-04-15
卷号	228
关键词	Domain walls Ferroelectric thin films Ferroelectricity Lead titanate Phase diagrams Structural properties Thermal conductivity (110)-oriented ferroelectric film Closure-domain Domain structure Epitaxial strain Misfit strains Phase domain Phase-field simulation Strain phase diagram Structure and physical properties Thin-films
ISSN号	1359-6454
DOI	10.1016/j.actamat.2022.117761
英文摘要	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. © 2022 Acta Materialia Inc.
语种	英语
出版者	Acta Materialia Inc
内容类型	期刊论文
源URL	[http://ir.lut.edu.cn/handle/2XXMBERH/157847]
专题	材料科学与工程学院
作者单位	1.Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Science, Wenhua Road 72, Shenyang; 110016, China; 2.Bay Area Center for Electron Microscopy, Songshan Lake Materials Laboratory, Guangdong, Dongguan; 523808, China; 3.Institute of Physics, Chinese Academy of Science, Beijing; 100190, China; 4.State Key Lab of Advanced Processing and Recycling on Non-ferrous Metals, Lanzhou University of Technology, Langongping Road 287, Lanzhou; 730050, China 5.School of Materials Science and Engineering, University of Science and Technology of China, Wenhua Road 72, Shenyang; 110016, 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.
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.
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).