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Autores principales: Zhu, Yuanhao, Yuan, Xixi, Zhao, Ying, Zhang, Jin, Ding, Zijing, Fu, Huixia
Formato: Preprint
Publicado: 2025
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Acceso en línea:https://arxiv.org/abs/2506.13448
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author Zhu, Yuanhao
Yuan, Xixi
Zhao, Ying
Zhang, Jin
Ding, Zijing
Fu, Huixia
author_facet Zhu, Yuanhao
Yuan, Xixi
Zhao, Ying
Zhang, Jin
Ding, Zijing
Fu, Huixia
contents Bulk MnBi$_2$Te$_4$ (MBT) is an intrinsic antiferromagnetic topological insulator. However, its low Néel temperature of $\sim 25\,\mathrm{K}$ severely restricts its practical applications. Here, we propose a van der Waals heterostructure composed of monolayer MBT (ML-MBT) and monolayer MnBr$_3$, an intrinsic Chern insulator possessing a high Curie temperature ($T_\mathrm{C} \sim 200\,\mathrm{K}$). By employing density functional theory calculations and Monte Carlo simulations, we demonstrate that interfacing ML-MBT with MnBr$_3$ significantly enhances the $T_\mathrm{C}$ of ML-MBT by a factor of four to five. Electronic correlations characterized by the Hubbard parameter $U_2$ for Mn-$d$ orbitals in MnBr$_3$ play a crucial role in governing magnetic coupling within the system. At a moderate correlation strength of $U_2 = 3.0\,\mathrm{eV}$, slight structural distortions in MnBr$_3$ break intralayer symmetry, enabling robust interlayer ferromagnetic coupling and yielding a single, unified magnetic transition. Increasing $U_2$ reduces these structural distortions, weakens interlayer coupling, and induces two distinct magnetic transitions, indicating interlayer magnetic decoupling. Thus, the MBT/MnBr$_3$ heterostructure offers a novel approach for controlling magnetic order and enhancing the performance of spintronic devices.
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institution arXiv
publishDate 2025
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spellingShingle Electronic Correlations Control Interlayer Coupling and Magnetic Transition in MnBi$_2$Te$_4$/MnBr$_3$ Heterostructure
Zhu, Yuanhao
Yuan, Xixi
Zhao, Ying
Zhang, Jin
Ding, Zijing
Fu, Huixia
Materials Science
Computational Physics
Bulk MnBi$_2$Te$_4$ (MBT) is an intrinsic antiferromagnetic topological insulator. However, its low Néel temperature of $\sim 25\,\mathrm{K}$ severely restricts its practical applications. Here, we propose a van der Waals heterostructure composed of monolayer MBT (ML-MBT) and monolayer MnBr$_3$, an intrinsic Chern insulator possessing a high Curie temperature ($T_\mathrm{C} \sim 200\,\mathrm{K}$). By employing density functional theory calculations and Monte Carlo simulations, we demonstrate that interfacing ML-MBT with MnBr$_3$ significantly enhances the $T_\mathrm{C}$ of ML-MBT by a factor of four to five. Electronic correlations characterized by the Hubbard parameter $U_2$ for Mn-$d$ orbitals in MnBr$_3$ play a crucial role in governing magnetic coupling within the system. At a moderate correlation strength of $U_2 = 3.0\,\mathrm{eV}$, slight structural distortions in MnBr$_3$ break intralayer symmetry, enabling robust interlayer ferromagnetic coupling and yielding a single, unified magnetic transition. Increasing $U_2$ reduces these structural distortions, weakens interlayer coupling, and induces two distinct magnetic transitions, indicating interlayer magnetic decoupling. Thus, the MBT/MnBr$_3$ heterostructure offers a novel approach for controlling magnetic order and enhancing the performance of spintronic devices.
title Electronic Correlations Control Interlayer Coupling and Magnetic Transition in MnBi$_2$Te$_4$/MnBr$_3$ Heterostructure
topic Materials Science
Computational Physics
url https://arxiv.org/abs/2506.13448