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An ab-initio study on engineering quantum anomalous Hall effect in compensated antiferromagnet MnBi2Te4

2024/12/28 by Zeyu Li, Li, Zeyu, Yulei Han +3
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Magnetic properties of thin films #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Physics of Superconductivity and Magnetism

paper · pdf · doi:10.48550/arxiv.2412.20136

openalex publication_date 2024/12/28 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Recently, the quantum anomalous Hall effect (QAHE) has been theoretically proposed in compensated antiferromagnetic systems by using the magnetic topological insulator model [see arXiv:2404.13305 (2024)]. However, the related and systematic study based on a realistic material system is still limited. As the only experimentally realized antiferromagnetic topological insulator, MnBi2Te4 becomes a vital platform for exploring various topological states. In this work, by using the comprehensive first-principles calculations, we demonstrate that the QAHE can also be realized in compensated antiferromagnetic even-septuple-layer MnBi2Te4 without combined parity-time (PT) symmetry. Using a magnetic topological insulator model, the layer-resolved Chern number is calculated to further understand the physical origin of different Chern numbers. The application of external hydrostatic pressure can strengthen the Te-Te quasicovalent bond due to the dramatic compression of the van der Waals gap. Thus, the resulting topological nontrivial gap can exceed the room-temperature energy scale in a wide range of pressures. Additionally, we find that constructing MnBi2Te4/CrI3 heterostructure can realize the compensated antiferromagnetic configurations with QAHE. Our findings illustrate the realization of QAHE in compensated antiferromagnetic even-septuple-layer MnBi2Te4 and provide a reliable strategy to obtain the corresponding magnetic configurations.

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