Atomic Structure and Electronic Properties of Pristine and O-Doped Basal-Plane Inversion Domain Boundaries in AlN

doi:10.1021/acs.jpcc.4c02139

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	Atomic Structure and Electronic Properties of Pristine and O-Doped Basal-Plane Inversion Domain Boundaries in AlN
	Wang, Xinwei 1,2; Yan, Xuexi 1,2; Jiang, Yixiao 1,2; Jin, Qianqian 3; Yao, Tingting 1,2; Chen, Chunlin 1,2,4; Ma, Xiu-Liang 5,6,7; Ye, Hengqiang 4
通讯作者	Jiang, Yixiao(yxjiang11s@imr.ac.cn) ; Chen, Chunlin(clchen@imr.ac.cn)
	2024-07-29
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY C
ISSN	1932-7447
卷号	128 期号:31 页码:13230-13237
摘要	Revealing atomic and electronic structures and elemental doping behavior of basal-plane inversion domain boundaries (b-IDBs) is crucial for a deep understanding of polarization reversal mechanisms in ferroelectric wurtzites. Here, the atomic and electronic structures of pristine and O-doped b-IDBs in AlN thin films have been comparatively investigated by combining aberration-corrected transmission electron microscopy and first-principles calculations. It is found that the polarization reverses from the N-polar to Al-polar orientation across the pristine AlN b-IDB through the formation of a monolayer of hexagonal AlN in which Al and N atoms locate in the same atomic plane. The pristine b-IDB exhibits two-dimensional hole conductivity due to the increasing coordination number of Al atoms and the decreasing coordination number of N atoms. The O-doped b-IDB has a higher structural stability compared with the pristine one. The main driving force for O segregation of oxanes is the charge compensation at the b-IDB. These findings can not only help to unveil the atomic origin for the polarization switching in wurtzite ferroelectrics but also shed light on strategies for tailoring the physical properties of domain boundaries.
资助者	National Natural Science Foundation of China ; China Postdoctoral Science Foundation ; Basic and Applied Basic Research Major Programme of Guangdong Province, China
DOI	10.1021/acs.jpcc.4c02139
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[52125101] ; National Natural Science Foundation of China[51971224] ; National Natural Science Foundation of China[52001309] ; National Natural Science Foundation of China[52271015] ; China Postdoctoral Science Foundation[GZC20232748] ; China Postdoctoral Science Foundation[2024M753303] ; Basic and Applied Basic Research Major Programme of Guangdong Province, China[2021B0301030003] ; Basic and Applied Basic Research Major Programme of Guangdong Province, China[X210141TL210]
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS记录号	WOS:001280424900001
出版者	AMER CHEMICAL SOC
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/188537
专题	中国科学院金属研究所
通讯作者	Jiang, Yixiao; Chen, Chunlin
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 3.Guangxi Univ Sci & Technol, Ctr Struct Adv Matter, Sch Elect Engn, Liuzhou 545006, Peoples R China 4.Ji Hua Lab, Foshan 528200, Peoples R China 5.Songshan Lake Mat Lab, Bay Area Ctr Electron Microscopy, Dongguan 523808, Peoples R China 6.Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China 7.Lanzhou Univ Technol, Sch Mat Sci & Engn, Lanzhou 730050, Peoples R China
推荐引用方式 GB/T 7714	Wang, Xinwei,Yan, Xuexi,Jiang, Yixiao,et al. Atomic Structure and Electronic Properties of Pristine and O-Doped Basal-Plane Inversion Domain Boundaries in AlN[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2024,128(31):13230-13237.
APA	Wang, Xinwei.,Yan, Xuexi.,Jiang, Yixiao.,Jin, Qianqian.,Yao, Tingting.,...&Ye, Hengqiang.(2024).Atomic Structure and Electronic Properties of Pristine and O-Doped Basal-Plane Inversion Domain Boundaries in AlN.JOURNAL OF PHYSICAL CHEMISTRY C,128(31),13230-13237.
MLA	Wang, Xinwei,et al."Atomic Structure and Electronic Properties of Pristine and O-Doped Basal-Plane Inversion Domain Boundaries in AlN".JOURNAL OF PHYSICAL CHEMISTRY C 128.31(2024):13230-13237.