Electronic and crystal structure changes induced by in-plane oxygen vacancies in multiferroic YMnO3
- Tsinghua Univ., Beijing (People's Republic of China)
- Univ. of Science and Technology of China, Anhui (People's Republic of China)
- Tsinghua Univ., Beijing (People's Republic of China); Chinese Academy of Engineering Physics, Beijing (People's Republic of China)
- Univ. of Science and Technology of China, Anhui (People's Republic of China); Chinese Academy of Sciences, Anhui (People's Republic of China); Collaborative Innovation Center of Advanced Microstructures, Jiangsu (People's Republic of China)
Here, the widely spread oxygen vacancies (VO) in multiferroic materials can strongly affect their physical properties. However, their exact influence has rarely been identified in hexagonal manganites. Here, with the combined use of transmission electron microscopy (TEM) and first-principles calculations, we have systematically studied the electronic and crystal structure modifications induced by VO located at the same Mn atomic plane (in-plane VO). Our TEM experiments reveal that the easily formed in-plane VO not only influence the electronic structure of YMnO3 but alter the in-plane Wyckoff positions of Mn ions, which may subsequently affect the intraplane and interplane exchange interaction of Mn ions. The ferroelectricity is also impaired due to the introduction of VO. Further calculations confirm these electronic and structural changes and modifications. Our results indicate that the electronic and crystal structure of YMnO3 can be manipulated by the creation of VO.
- Research Organization:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- SC0012704
- OSTI ID:
- 1255719
- Alternate ID(s):
- OSTI ID: 1237401
- Report Number(s):
- BNL-112044-2016-JA; PRBMDO; R&D Project: MA015MACA; KC0201010
- Journal Information:
- Physical Review B, Vol. 93, Issue 5; ISSN 2469-9950
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
Interface reconstruction with emerging charge ordering in hexagonal manganite
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journal | May 2018 |
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