Manipulating multiple order parameters via oxygen vacancies: The case of e u0.5 B a0.5Ti O3-δ

Weiwei Li; Qian He; Le Wang; Huizhong Zeng; John Bowlan; Langsheng Ling; Dmitry A. Yarotski; Wenrui Zhang; Run Zhao; Jiahong Dai; Junxing Gu; Shipeng Shen; Haizhong Guo; Li Pi; Haiyan Wang; Yongqiang Wang; Ivan A. Velasco-Davalos; Yangjiang Wu; Zhijun Hu; Bin Chen; Run Wei Li; Young Sun; Kuijuan Jin; Yuheng Zhang; Hou Tong Chen; Sheng Ju; Andreas Ruediger; Daning Shi; Albina Y. Borisevich; Hao Yang

doi:10.1103/PhysRevB.96.115105

Manipulating multiple order parameters via oxygen vacancies: The case of e u0.5 B a0.5Ti O3-δ

Weiwei Li, Qian He, Le Wang, Huizhong Zeng, John Bowlan, Langsheng Ling, Dmitry A. Yarotski, Wenrui Zhang, Run Zhao, Jiahong Dai, Junxing Gu, Shipeng Shen, Haizhong Guo, Li Pi, Haiyan Wang, Yongqiang Wang, Ivan A. Velasco-Davalos, Yangjiang Wu, Zhijun Hu, Bin ChenRun Wei Li, Young Sun, Kuijuan Jin, Yuheng Zhang, Hou Tong Chen, Sheng Ju, Andreas Ruediger, Daning Shi, Albina Y. Borisevich, Hao Yang

Electron Microscopy

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Abstract

Controlling functionalities, such as magnetism or ferroelectricity, by means of oxygen vacancies (VO) is a key issue for the future development of transition-metal oxides. Progress in this field is currently addressed through VO variations and their impact on mainly one order parameter. Here we reveal a mechanism for tuning both magnetism and ferroelectricity simultaneously by using VO. Combining experimental and density-functional theory studies of Eu0.5Ba0.5TiO3-δ, we demonstrate that oxygen vacancies create Ti3+3d1 defect states, mediating the ferromagnetic coupling between the localized Eu 4f7 spins, and increase an off-center displacement of Ti ions, enhancing the ferroelectric Curie temperature. The dual function of Ti sites also promises a magnetoelectric coupling in the Eu0.5Ba0.5TiO3-δ.

Original language	English
Article number	115105
Journal	Physical Review B
Volume	96
Issue number	11
DOIs	https://doi.org/10.1103/PhysRevB.96.115105
State	Published - Sep 6 2017

Funding

The authors thank Kelvin H. L. Zhang for valuable discussion, and also acknowledge the support of the National Basic Research Program of China (Grant No. 2014CB921001), the National Natural Science Foundation of China (Grants No. 11274237, No. U1632122, No. 11004145, No. 51202153, No. U1332209, No. U1435208, No. 11134012, No. 11174355, No. 11474349, and No. 11227405), and the Program for Postgraduates Research Innovation in University of Jiangsu Province under Grant No. CXZZ13_0798. The STEM studies (Q.H. and A.Y.B.) are supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. The TEM studies at Texas A&M University are funded by the US National Science Foundation (Grants No. DMR-1643911 and No. DMR-1565822). Ion beam analysis (Y.W.) and SHG measurements are supported by the Center for Integrated Nanothechnologies (CINT), a US DOE Nanoscale Research Center, jointly operated by Los Alamos and Sandia National Laboratories. A.R. gratefully acknowledges financial support from NSERC through a discovery grant, from FRQNT and from CFI through the Leaders Opportunity Fund.

Funders	Funder number
Program for Postgraduates Research Innovation in University of Jiangsu Province	CXZZ13_0798
National Science Foundation	1565822, DMR-1643911, DMR-1565822, 1643911
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Sandia National Laboratories
Texas A and M University
Division of Materials Sciences and Engineering
Center for Integrated Nanotechnologies
Natural Sciences and Engineering Research Council of Canada
Canada Foundation for Innovation
National Natural Science Foundation of China	11134012, 11474349, 11174355, 11227405, U1332209, U1435208, U1632122, 51202153, 11274237, 11004145
Fonds de recherche du Québec – Nature et technologies
National Key Research and Development Program of China	2014CB921001

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Li, W., He, Q., Wang, L., Zeng, H., Bowlan, J., Ling, L., Yarotski, D. A., Zhang, W., Zhao, R., Dai, J., Gu, J., Shen, S., Guo, H., Pi, L., Wang, H., Wang, Y., Velasco-Davalos, I. A., Wu, Y., Hu, Z., ... Yang, H. (2017). Manipulating multiple order parameters via oxygen vacancies: The case of e u0.5 B a0.5Ti O3-δ. Physical Review B, 96(11), Article 115105. https://doi.org/10.1103/PhysRevB.96.115105

@article{a19fe236efa84ddc8c5b53df54e32449,

title = "Manipulating multiple order parameters via oxygen vacancies: The case of e u0.5 B a0.5Ti O3-δ",

abstract = "Controlling functionalities, such as magnetism or ferroelectricity, by means of oxygen vacancies (VO) is a key issue for the future development of transition-metal oxides. Progress in this field is currently addressed through VO variations and their impact on mainly one order parameter. Here we reveal a mechanism for tuning both magnetism and ferroelectricity simultaneously by using VO. Combining experimental and density-functional theory studies of Eu0.5Ba0.5TiO3-δ, we demonstrate that oxygen vacancies create Ti3+3d1 defect states, mediating the ferromagnetic coupling between the localized Eu 4f7 spins, and increase an off-center displacement of Ti ions, enhancing the ferroelectric Curie temperature. The dual function of Ti sites also promises a magnetoelectric coupling in the Eu0.5Ba0.5TiO3-δ.",

author = "Weiwei Li and Qian He and Le Wang and Huizhong Zeng and John Bowlan and Langsheng Ling and Yarotski, {Dmitry A.} and Wenrui Zhang and Run Zhao and Jiahong Dai and Junxing Gu and Shipeng Shen and Haizhong Guo and Li Pi and Haiyan Wang and Yongqiang Wang and Velasco-Davalos, {Ivan A.} and Yangjiang Wu and Zhijun Hu and Bin Chen and Li, {Run Wei} and Young Sun and Kuijuan Jin and Yuheng Zhang and Chen, {Hou Tong} and Sheng Ju and Andreas Ruediger and Daning Shi and Borisevich, {Albina Y.} and Hao Yang",

note = "Publisher Copyright: {\textcopyright} 2017 American Physical Society.",

year = "2017",

month = sep,

day = "6",

doi = "10.1103/PhysRevB.96.115105",

language = "English",

volume = "96",

journal = "Physical Review B",

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Li, W, He, Q, Wang, L, Zeng, H, Bowlan, J, Ling, L, Yarotski, DA, Zhang, W, Zhao, R, Dai, J, Gu, J, Shen, S, Guo, H, Pi, L, Wang, H, Wang, Y, Velasco-Davalos, IA, Wu, Y, Hu, Z, Chen, B, Li, RW, Sun, Y, Jin, K, Zhang, Y, Chen, HT, Ju, S, Ruediger, A, Shi, D, Borisevich, AY & Yang, H 2017, 'Manipulating multiple order parameters via oxygen vacancies: The case of e u0.5 B a0.5Ti O3-δ', Physical Review B, vol. 96, no. 11, 115105. https://doi.org/10.1103/PhysRevB.96.115105

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AU - He, Qian

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AU - Zeng, Huizhong

AU - Bowlan, John

AU - Ling, Langsheng

AU - Yarotski, Dmitry A.

AU - Zhang, Wenrui

AU - Zhao, Run

AU - Dai, Jiahong

AU - Gu, Junxing

AU - Shen, Shipeng

AU - Guo, Haizhong

AU - Pi, Li

AU - Wang, Haiyan

AU - Wang, Yongqiang

AU - Velasco-Davalos, Ivan A.

AU - Wu, Yangjiang

AU - Hu, Zhijun

AU - Chen, Bin

AU - Li, Run Wei

AU - Sun, Young

AU - Jin, Kuijuan

AU - Zhang, Yuheng

AU - Chen, Hou Tong

AU - Ju, Sheng

AU - Ruediger, Andreas

AU - Shi, Daning

AU - Borisevich, Albina Y.

AU - Yang, Hao

PY - 2017/9/6

Y1 - 2017/9/6

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AB - Controlling functionalities, such as magnetism or ferroelectricity, by means of oxygen vacancies (VO) is a key issue for the future development of transition-metal oxides. Progress in this field is currently addressed through VO variations and their impact on mainly one order parameter. Here we reveal a mechanism for tuning both magnetism and ferroelectricity simultaneously by using VO. Combining experimental and density-functional theory studies of Eu0.5Ba0.5TiO3-δ, we demonstrate that oxygen vacancies create Ti3+3d1 defect states, mediating the ferromagnetic coupling between the localized Eu 4f7 spins, and increase an off-center displacement of Ti ions, enhancing the ferroelectric Curie temperature. The dual function of Ti sites also promises a magnetoelectric coupling in the Eu0.5Ba0.5TiO3-δ.

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Manipulating multiple order parameters via oxygen vacancies: The case of e u0.5 B a0.5Ti O3-δ

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