In-plane magnetization and electronic structures in BiFeO3/graphene superlattice

Author:

Chen Chen12ORCID,Zeng Junjie3,Ren Yafei34,Fang Le12,Wu Yabei15,Zhang Peihong15,Hu Tao1,Wang Jian6,Qiao Zhenhua34,Ren Wei127ORCID

Affiliation:

1. International Center for Quantum and Molecular Structures, Materials Genome Institute, Physics Department, Shanghai University, Shanghai 200444, China

2. Shanghai Key Laboratory of High Temperature Superconductors, Shanghai University, Shanghai 200444, China

3. ICQD, Hefei National Laboratory for Physical Sciences at Microscale, and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026, China

4. CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics, and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, China

5. Department of Physics, University at Buffalo, State University of New York, Buffalo, New York 14260, USA

6. College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen, Guangdong, China

7. Zhejiang Laboratory, Hangzhou 311100, China

Abstract

We predict the presence of gapped electronic structures in an artificial superlattice of graphene embedded in (111)-oriented BiFeO3 layers based on first-principles calculations. Due to the electron transfer and the proximity effect at the BiFeO3/graphene interface, we find that magnetic moments of Fe atoms near a graphene layer were slightly less than that of bulk Fe atoms. Regarding the ferromagnetic moment orientation of Fe atoms in perovskite BiFeO3, we reveal that the in-plane magnetization gives the ground state. The bandgap depends on the magnetization direction and the separation between the graphene layer and the perovskite BiFeO3 slab, which might be adjusted by applying external uniaxial stress in an experiment. Our results provide a route for designing hybrid 2D materials with emerging properties that are not available in single materials alone.

Funder

National Natural Science Foundation of China

Shanghai Municipal Science and Technology Commission Program

Independent Research and Development Project of State Key Laboratory of Advanced Special Steel, Shanghai Key Laboratory of Advanced Ferrometallurgy, Shanghai University

Science and Technology Commission of Shanghai Municipality

Publisher

AIP Publishing

Subject

Physics and Astronomy (miscellaneous)

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