| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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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 |
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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.
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Received: 24 January 2022
Revised: 07 April 2022
Accepted manuscript online:
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PACS:
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73.43.-f
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(Quantum Hall effects)
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75.70.-i
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(Magnetic properties of thin films, surfaces, and interfaces)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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73.43.Cd
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(Theory and modeling)
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| Fund: 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). |
Corresponding Authors:
Wenguang Zhu
E-mail: wgzhu@ustc.edu.cn
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Cite this article:
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 2022 Chin. Phys. B 31 107304
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