Atomic Structure and Electronic Properties of Pristine and O-Doped Basal-Plane Inversion Domain Boundaries in AlN
文献类型：期刊论文
| 作者 | Wang, Xinwei1,2; Yan, Xuexi1,2; Jiang, Yixiao1,2; Jin, Qianqian3; Yao, Tingting1,2; Chen, Chunlin1,2,4; Ma, Xiu-Liang5,6,7; Ye, Hengqiang4 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2024-07-29 |
| 卷号 | 128期号:31页码:13230-13237 |
| ISSN号 | 1932-7447 |
| DOI | 10.1021/acs.jpcc.4c02139 |
| 通讯作者 | Jiang, Yixiao(yxjiang11s@imr.ac.cn) ; Chen, Chunlin(clchen@imr.ac.cn) |
| 英文摘要 | 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 |
| 语种 | 英语 |
| WOS记录号 | WOS:001280424900001 |
| 出版者 | AMER CHEMICAL SOC |
| 资助机构 | National Natural Science Foundation of China ; China Postdoctoral Science Foundation ; Basic and Applied Basic Research Major Programme of Guangdong Province, China |
| 源URL |  |
| 专题 | 金属研究所_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. |
入库方式： OAI收割
来源：金属研究所
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