English

Electronic Correlations Control Interlayer Coupling and Magnetic Transition in MnBi$_2$Te$_4$/MnBr$_3$ Heterostructure

Materials Science 2025-08-12 v1 Computational Physics

Abstract

Bulk MnBi2_2Te4_4 (MBT) is an intrinsic antiferromagnetic topological insulator. However, its low N\'eel temperature of 25K\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 MnBr3_3, an intrinsic Chern insulator possessing a high Curie temperature (TC200KT_\mathrm{C} \sim 200\,\mathrm{K}). By employing density functional theory calculations and Monte Carlo simulations, we demonstrate that interfacing ML-MBT with MnBr3_3 significantly enhances the TCT_\mathrm{C} of ML-MBT by a factor of four to five. Electronic correlations characterized by the Hubbard parameter U2U_2 for Mn-dd orbitals in MnBr3_3 play a crucial role in governing magnetic coupling within the system. At a moderate correlation strength of U2=3.0eVU_2 = 3.0\,\mathrm{eV}, slight structural distortions in MnBr3_3 break intralayer symmetry, enabling robust interlayer ferromagnetic coupling and yielding a single, unified magnetic transition. Increasing U2U_2 reduces these structural distortions, weakens interlayer coupling, and induces two distinct magnetic transitions, indicating interlayer magnetic decoupling. Thus, the MBT/MnBr3_3 heterostructure offers a novel approach for controlling magnetic order and enhancing the performance of spintronic devices.

Keywords

Cite

@article{arxiv.2506.13448,
  title  = {Electronic Correlations Control Interlayer Coupling and Magnetic Transition in MnBi$_2$Te$_4$/MnBr$_3$ Heterostructure},
  author = {Yuanhao Zhu and Xixi Yuan and Ying Zhao and Jin Zhang and Zijing Ding and Huixia Fu},
  journal= {arXiv preprint arXiv:2506.13448},
  year   = {2025}
}
R2 v1 2026-07-01T03:19:37.064Z