CuMnI3单层的载流子诱导磁相变与双极磁性半导体行为
Carrier-Driven Magnetic Phase Transition and Bipolar Magnetic Semiconductor Behavior in CuMnI3 Monolayer
摘要: 性能可调控的二维磁性材料是自旋电子学应用的重要候选平台。本文采用第一性原理计算方法，系统研究了CuMnI3单层的电子结构与磁学性质，发现其为一种本征稳定的锯齿形反铁磁(AFM)间接带隙半导体，且磁基态对应变具有很强的鲁棒性。电子或空穴掺杂均可诱导该材料发生反铁磁–铁磁(FM)相变，其居里临界温度最高可达约100 K。这种掺杂诱导的磁有序态转变使CuMnI3单层成为一种双极磁性半导体：空穴掺杂可实现完全自旋向上极化导电，电子掺杂则可实现完全自旋向下极化导电。这种电控自旋极化特性为自旋场效应晶体管的设计提供了新的思路。此外，在载流子掺杂诱导的铁磁态CuMnI3单层中，自旋轨道耦合会在Γ点的非狄拉克带简并处打开能隙，从而产生显著的反常霍尔电导率。研究结果表明，反铁磁CuMnI3单层是发展二维反铁磁基自旋电子器件、探索新型低维磁学现象的极具潜力的候选材料。
Abstract: Two-dimensional magnetic materials with tunable properties are important candidate platforms for spintronic applications. In this work, we systematically investigate the electronic structure and magnetic properties of monolayer CuMnI3 using first-principles calculations. It is found that it is an intrinsically stable zigzag antiferromagnetic (AFM) semiconductor with an indirect band gap, and its magnetic ground state exhibits strong robustness against strain. Both electron and hole doping can induce an antiferromagnetic-ferromagnetic (FM) phase transition in this material, with the Curie critical temperature reaching up to approximately 100 K. This doping-induced magnetic order transition makes monolayer CuMnI3 a bipolar magnetic semiconductor: hole doping enables fully spin-up polarized conduction, while electron doping enables fully spin-down polarized conduction. This electrically controllable spin polarization property provides a new idea for the design of spin field-effect transistors. In addition, in the carrier-doped ferromagnetic monolayer CuMnI3, spin-orbit coupling (SOC) opens an energy gap at the non-Dirac band degeneracy near the Γ point, resulting in a significant anomalous Hall conductivity. These results indicate that the antiferromagnetic monolayer CuMnI3 is a highly promising candidate material for the development of two-dimensional antiferromagnet-based spintronic devices and the exploration of novel low-dimensional magnetic phenomena.
文章引用：王旋, 李洁雪, 张加永. CuMnI3单层的载流子诱导磁相变与双极磁性半导体行为[J]. 应用物理, 2026, 16(6): 635-646. https://doi.org/10.12677/app.2026.166058

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