Phase-field modeling and electronic structural analysis of flexoelectric effect at 180 degrees domain walls in ferroelectric PbTiO3

doi:10.1063/1.5017219

	Phase-field modeling and electronic structural analysis of flexoelectric effect at 180 degrees domain walls in ferroelectric PbTiO3
	Wang, Yu-Jia 1; Li, Jiangyu 2,3; Zhu, Yin-Lian 1; Ma, Xiu-Liang1,4
	2017-12-14
发表期刊	JOURNAL OF APPLIED PHYSICS
ISSN	0021-8979
卷号	122 期号:22
摘要	The flexoelectric effect is the coupling between strain, polarization, and their gradients, which are prominent at the nanoscale. Although this effect is important to understand nanostructures, such as domain walls in ferroelectrics, its electronic mechanism is not clear. In this work, we combined phase-field simulations and first-principles calculations to study the 180 degrees domain walls in tetragonal ferroelectric PbTiO3 and found that the source of Neel components is the gradient of the square of spontaneous polarization. Electronic structural analysis reveals that there is a redistribution of electronic charge density and potential around domain walls, which produces the electric field and Neel components. This work thus sheds light on the electronic mechanism of the flexoelectric effect around 180 degrees domain walls in tetragonal ferroelectrics. Published by AIP Publishing.
DOI	10.1063/1.5017219
收录类别	SCI
语种	英语
资助项目	Shenzhen Science and Technology Innovation Committee[JCYJ20170413152832151]
WOS研究方向	Physics
WOS类目	Physics, Applied
WOS记录号	WOS:000418349300017
出版者	AMER INST PHYSICS
引用统计	被引频次：10[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	https://ir.lut.edu.cn/handle/2XXMBERH/32970
专题	材料科学与工程学院材料科学与工程学院_特聘教授组
通讯作者	Li, Jiangyu; Ma, Xiu-Liang
作者单位	1.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China 2.Chinese Acad Sci, Univ Town Shenzhen, Shenzhen Inst Adv Technol, Shenzhen Key Lab Nanobiomech, Shenzhen 518055, Guangdong, Peoples R China 3.Univ Washington, Dept Mech Engn, Seattle, WA 98195 USA 4.Lanzhou Univ Technol, Sch Mat Sci & Engn, Langongping Rd 287, Lanzhou 730050, Gansu, Peoples R China
通讯作者单位	材料科学与工程学院
推荐引用方式 GB/T 7714	Wang, Yu-Jia,Li, Jiangyu,Zhu, Yin-Lian,et al. Phase-field modeling and electronic structural analysis of flexoelectric effect at 180 degrees domain walls in ferroelectric PbTiO3[J]. JOURNAL OF APPLIED PHYSICS,2017,122(22).
APA	Wang, Yu-Jia,Li, Jiangyu,Zhu, Yin-Lian,&Ma, Xiu-Liang.(2017).Phase-field modeling and electronic structural analysis of flexoelectric effect at 180 degrees domain walls in ferroelectric PbTiO3.JOURNAL OF APPLIED PHYSICS,122(22).
MLA	Wang, Yu-Jia,et al."Phase-field modeling and electronic structural analysis of flexoelectric effect at 180 degrees domain walls in ferroelectric PbTiO3".JOURNAL OF APPLIED PHYSICS 122.22(2017).

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