Using relativistic density-functional calculations, we examine the magneto-crystalline anisotropy and exchange properties of transition-metal atoms adsorbed on 2D-GaAs. We show that single Mn and Mo atom (Co and Os) strongly bind on 2D-GaAs, and induce local out-of-plane (in-plane) magnetic anisotropy. When a pair of TM atoms is adsorbed on 2D-GaAs in a close range from each other, magnetisation properties change (become tunable) with respect to concentrations and ordering of the adatoms. In all cases, we reveal presence of strong Dzyaloshinskii–Moriya interaction. These results indicate novel pathways towards two-dimensional chiral magnetic materials by design, tailored for desired applications in magneto-electronics.

使用相对论密度泛函计算，我们检查了吸附在 2D-GaAs 上的过渡金属原子的磁晶各向异性和交换特性。我们表明单个 Mn 和 Mo 原子（Co 和 Os）与 2D-GaAs 强烈结合，并引起局部面外（面内）磁各向异性。当一对 TM 原子​​在彼此相距很近的范围内吸附在 2D-GaAs 上时，磁化特性会随着吸附原子的浓度和顺序发生变化（变得可调）。在所有情况下，我们都揭示了强 Dzyaloshinskii-Moriya 相互作用的存在。这些结果表明了通过设计实现二维手性磁性材料的新途径，专为磁电子学中的所需应用量身定制。