IMR OpenIR
Phase-field modeling and electronic structural analysis of flexoelectric effect at 180 degrees domain walls in ferroelectric PbTiO3
Wang, Yu-Jia; Li, Jiangyu; Zhu, Yin-Lian; Ma, Xiu-Liang; Ma, XL (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.; Li, JY (reprint author), Chinese Acad Sci, Univ Town Shenzhen, Shenzhen Inst Adv Technol, Shenzhen Key Lab Nanobiomech, Shenzhen 518055, Guangdong, Peoples R China.; Li, JY (reprint author), Univ Washington, Dept Mech Engn, Seattle, WA 98195 USA.; Ma, XL (reprint author), Lanzhou Univ Technol, Sch Mat Sci & Engn, Langongping Rd 287, Lanzhou 730050, Gansu, Peoples R China.
2017-12-14
发表期刊AMER INST PHYSICS
ISSN0021-8979
卷号122期号:22页码:-
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.; 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.
部门归属[wang, yu-jia ; zhu, yin-lian ; ma, xiu-liang] chinese acad sci, shenyang natl lab mat sci, inst met res, 72 wenhua rd, shenyang 110016, liaoning, peoples r china ; [li, jiangyu] chinese acad sci, univ town shenzhen, shenzhen inst adv technol, shenzhen key lab nanobiomech, shenzhen 518055, guangdong, peoples r china ; [li, jiangyu] univ washington, dept mech engn, seattle, wa 98195 usa ; [ma, xiu-liang] lanzhou univ technol, sch mat sci & engn, langongping rd 287, lanzhou 730050, gansu, peoples r china
学科领域Physics, Applied
资助者National Key Basic Research Program of China [2016YFA0201001, 2014CB921002]; National Natural Science Foundation of China [51401212, 11627801, 51571197, 51231007, 51671194, 51521091]; Key Research Program of Frontier Sciences CAS [QYZDJ-SSW-JSC010]; Doctoral Initiation Foundation of Liaoning Province [20141144]; Shenzhen Science and Technology Innovation Committee [JCYJ20170413152832151]
收录类别SCI
语种英语
文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/78933
专题中国科学院金属研究所
通讯作者Ma, XL (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.; Li, JY (reprint author), Chinese Acad Sci, Univ Town Shenzhen, Shenzhen Inst Adv Technol, Shenzhen Key Lab Nanobiomech, Shenzhen 518055, Guangdong, Peoples R China.; Li, JY (reprint author), Univ Washington, Dept Mech Engn, Seattle, WA 98195 USA.; Ma, XL (reprint author), Lanzhou Univ Technol, Sch Mat Sci & Engn, Langongping Rd 287, Lanzhou 730050, Gansu, Peoples R China.
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]. AMER INST PHYSICS,2017,122(22):-.
APA Wang, Yu-Jia.,Li, Jiangyu.,Zhu, Yin-Lian.,Ma, Xiu-Liang.,Ma, XL .,...&Ma, XL .(2017).Phase-field modeling and electronic structural analysis of flexoelectric effect at 180 degrees domain walls in ferroelectric PbTiO3.AMER INST 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".AMER INST PHYSICS 122.22(2017):-.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Wang, Yu-Jia]的文章
[Li, Jiangyu]的文章
[Zhu, Yin-Lian]的文章
百度学术
百度学术中相似的文章
[Wang, Yu-Jia]的文章
[Li, Jiangyu]的文章
[Zhu, Yin-Lian]的文章
必应学术
必应学术中相似的文章
[Wang, Yu-Jia]的文章
[Li, Jiangyu]的文章
[Zhu, Yin-Lian]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。