Electronic and crystal structure changes induced by in-plane oxygen vacancies in multiferroic YMnO3

Cheng, Shaobo; Meng, Qingping; Li, Mengli; Duan, Wenhui; Zhao, Y. G.; Sun, X. F.; Zhu, Yimei; Zhu, Jing

doi:10.1103/PhysRevB.93.054409

Electronic and crystal structure changes induced by in-plane oxygen vacancies in multiferroic YMnO₃

Journal Article · Mon Feb 08 00:00:00 EST 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.93.054409· OSTI ID:1255719

Cheng, Shaobo ^[1]; Meng, Qingping ^[2]; Li, Mengli ^[3]; Duan, Wenhui ^[1]; Zhao, Y. G. ^[1]; Sun, X. F. ^[4]; Zhu, Yimei ^[2]; Zhu, Jing ^[1]

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 (V_O) 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 V_O located at the same Mn atomic plane (in-plane V_O). Our TEM experiments reveal that the easily formed in-plane V_O 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 V_O. 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 V_O.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0012704

OSTI ID:: 1255719

Alternate ID(s):: OSTI ID: 1237401

Report Number(s):: BNL--112044-2016-JA; KC0201010

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 5 Vol. 93; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited By (2)

Oxygen vacancies in the bulk and at neutral domain walls in hexagonal YMnO 3 Skjærvø, Sandra H.; Småbråten, Didrik R.; Spaldin, Nicola A. Physical Review B, Vol. 98, Issue 18 https://doi.org/10.1103/physrevb.98.184102	journal	November 2018
Interface reconstruction with emerging charge ordering in hexagonal manganite Cheng, Shaobo; Xu, Changsong; Deng, Shiqing Science Advances, Vol. 4, Issue 5 https://doi.org/10.1126/sciadv.aar4298	journal	May 2018

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