Prediction of quantum anomalous Hall effect in CrI3/ScCl2 bilayer heterostructure

doi:10.1088/1674-1056/ac67cb

中国物理B ›› 2022, Vol. 31 ›› Issue (10): 107304-107304.doi: 10.1088/1674-1056/ac67cb

Prediction of quantum anomalous Hall effect in CrI₃/ScCl₂ bilayer heterostructure

Yuan Gao(高源)¹, Huiping Li(李慧平)², and Wenguang Zhu(朱文光)^1,2,†

1. International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China;
2. Department of Physics, University of Science and Technology of China, Hefei 230026, China

收稿日期:2022-01-24 修回日期:2022-04-07 出版日期:2022-10-16 发布日期:2022-09-16
通讯作者: Wenguang Zhu E-mail:wgzhu@ustc.edu.cn
基金资助:
Project supported by the National Key Research and Development Program of China (Grant Nos. 2017YFA0204904 and 2019YFA0210004), the National Natural Science Foundation of China (Grant No. 11634011), the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000), and the Fundamental Research Funds for the Central Universities (Grant No. WK2340000082).

Prediction of quantum anomalous Hall effect in CrI₃/ScCl₂ bilayer heterostructure

Yuan Gao(高源)¹, Huiping Li(李慧平)², and Wenguang Zhu(朱文光)^1,2,†

1. International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China;
2. Department of Physics, University of Science and Technology of China, Hefei 230026, China

Received:2022-01-24 Revised:2022-04-07 Online:2022-10-16 Published:2022-09-16
Contact: Wenguang Zhu E-mail:wgzhu@ustc.edu.cn
Supported by:
Project supported by the National Key Research and Development Program of China (Grant Nos. 2017YFA0204904 and 2019YFA0210004), the National Natural Science Foundation of China (Grant No. 11634011), the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000), and the Fundamental Research Funds for the Central Universities (Grant No. WK2340000082).

摘要/Abstract

摘要： Based on first-principles calculations, a two-dimensional (2D) van der Waals (vdW) bilayer heterostructure consisting of two topologically trivial ferromagnetic (FM) monolayers CrI₃ and ScCl₂ is proposed to realize the quantum anomalous Hall effect (QAHE) with a sizable topologically nontrivial band gap of 4.5 meV. Its topological nature is attributed to an interlayer band inversion between the monolayers and critically depends on the symmetry of the stacking configuration. We further demonstrate that the topologically nontrivial band gap can be increased nearly linearly by the application of a perpendicular external pressure and reaches 8.1 meV at 2.7 GPa, and the application of an external out-of-plane electric field can also modulate the band gap and convert the system back to topologically trivial via eliminating the band inversion. An effective model is developed to describe the topological phase evolution in this bilayer heterostructure. This work provides a new candidate system based on 2D vdW materials for realization of potential high-temperature QAHE with considerable controllability.

关键词: quantum anomalous Hall effect, two-dimensional heterostructure

Abstract: Based on first-principles calculations, a two-dimensional (2D) van der Waals (vdW) bilayer heterostructure consisting of two topologically trivial ferromagnetic (FM) monolayers CrI₃ and ScCl₂ is proposed to realize the quantum anomalous Hall effect (QAHE) with a sizable topologically nontrivial band gap of 4.5 meV. Its topological nature is attributed to an interlayer band inversion between the monolayers and critically depends on the symmetry of the stacking configuration. We further demonstrate that the topologically nontrivial band gap can be increased nearly linearly by the application of a perpendicular external pressure and reaches 8.1 meV at 2.7 GPa, and the application of an external out-of-plane electric field can also modulate the band gap and convert the system back to topologically trivial via eliminating the band inversion. An effective model is developed to describe the topological phase evolution in this bilayer heterostructure. This work provides a new candidate system based on 2D vdW materials for realization of potential high-temperature QAHE with considerable controllability.

Key words: quantum anomalous Hall effect, two-dimensional heterostructure

中图分类号: (Quantum Hall effects)

73.43.-f

75.70.-i (Magnetic properties of thin films, surfaces, and interfaces) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 73.43.Cd (Theory and modeling)

Yuan Gao(高源), Huiping Li(李慧平), and Wenguang Zhu(朱文光). Prediction of quantum anomalous Hall effect in CrI₃/ScCl₂ bilayer heterostructure[J]. 中国物理B, 2022, 31(10): 107304-107304.

Yuan Gao(高源), Huiping Li(李慧平), and Wenguang Zhu(朱文光). Prediction of quantum anomalous Hall effect in CrI₃/ScCl₂ bilayer heterostructure[J]. Chin. Phys. B, 2022, 31(10): 107304-107304.

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Prediction of quantum anomalous Hall effect in CrI₃/ScCl₂ bilayer heterostructure

Prediction of quantum anomalous Hall effect in CrI₃/ScCl₂ bilayer heterostructure

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