自旋电子学
磁性
凝聚态物理
四方晶系
铁磁性
材料科学
单层
铁电性
半金属
纳米技术
结晶学
化学
物理
光电子学
晶体结构
电介质
作者
Xu Yan,Junyuan Wang,Weidong Sheng,Yong Liu,Liangzhi Kou,Guochun Yang
摘要
The integration of ferroelectricity, ferromagnetism, and half-metallicity in two-dimensional (2D) materials is pivotal for advancing spintronic device technologies. However, the progress in identifying such materials is limited, and we here propose a compelling approach by constructing asymmetry structures (Janus) based on known 2D magnets, namely, the Janus tetragonal Mn2BN monolayer as a promising polar half-metal. The asymmetric arrangement of B and N atoms, coupled with comparable atomic sizes and evident electronegativity, ensures structural stability and inherent polarization, while the dominance of Mn atoms governs magnetism. The robust ferromagnetic order stems from a strong super-exchange interaction, evident in the significant hybridization between Mn d and B/N p orbitals. The Mn2BN monolayer exhibits a wide spin bandgap (1.09 eV), a substantial electric polarization (9.15 μC cm−2), and a sizable magnetic anisotropic energy (238 μeV/Mn) and maintains stable ferromagnetic order to ∼800 K. These properties position it as a promising candidate for next-generation multifunctional devices in spintronics.
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