In contrast to the current research on two-dimensional (2D) materials, which is mainly focused on graphene and transition metal dichalcogenide-like structures, studies on 2D transition metal oxides are rare. By using ab initio calculations along with Monte Carlo simulations and nonequilibrium Green’s function method, we demonstrate that the transition metal oxide monolayer (ML) of Cr₂O₃ is an ideal candidate for next-generation spintronics applications. 2D Cr₂O₃ has honeycomb-kagome lattice, where the Dirac and strongly correlated fermions coexist around the Fermi level. Furthermore, the spin exchange coupling constant shows strong ferromagnetic (FM) interaction between Cr atoms. Cr₂O₃ ML has a robust half-metallic behavior with a large spin gap of ~3.9 eV and adequate Curie temperature. Interestingly, an intrinsic Ising FM characteristic is observed with a giant perpendicular magnetocrystalline anisotropy energy of ~0.9 meV. Most remarkably, nonequilibrium Green’s function calculations reveal that the Cr₂O₃ ML exhibits an excellent spin filtering effect.

与当前对二维（2D）材料的研究主要集中在石墨烯和类过渡金属二卤化硅化物结构上的研究形成对比，对二维过渡金属氧化物的研究很少。通过使用从头算以及蒙特卡罗模拟和非平衡格林函数方法，我们证明了Cr ₂ O ₃的过渡金属氧化物单层（ML）是下一代自旋电子学应用的理想选择。2D Cr ₂ O ₃具有蜂窝-kagome晶格，其中狄拉克（Dirac）和强相关的费米子在费米能级附近共存。此外，自旋交换耦合常数显示出Cr原子之间的强铁磁（FM）相互作用。铬₂ O ₃ML具有强大的半金属性能，自旋间隙约为3.9 eV，居里温度合适。有趣的是，观察到固有的伊辛FM特性，其巨大的垂直磁晶各向异性能约为0.9 meV。最显着的是，非平衡格林函数计算表明Cr ₂ O ₃ ML表现出出色的自旋过滤效果。