Magnetic materials could realize the intriguing quantum anomalous Hall effect and metal-to-insulator transition when combined with band topology or electronic correlation, which have broad prospects in quantum information, spintronics, and valleytronics. Here, we propose the approach of designing novel two-dimensional (2D) magnetic states via d-orbital-based superatomic lattices. Specifically, we chose triangular zirconium dichloride disks as superatoms to construct the honeycomb superatomic lattices. Using first-principles calculations, we identified a series of 2D magnetic states with varying sizes of superatoms. We found the non-uniform stoichiometries and geometric effect of superatomic lattice give rise to spin-polarized charges arranged in different magnetic configurations, containing ferromagnetic coloring triangles, antiferromagnetic honeycomb, and ferromagnetic kagome lattices. Attractively, these magnetic states are endowed with nontrivial band topology or strong correlation, forming an ideal Chern insulator or antiferromagnetic Dirac Mott insulator. Our work not only reveals the potential of d-orbital-based superatoms for generating unusual magnetic configurations, but also supplies a new avenue for material engineering at the nanoscale.

磁性材料与能带拓扑或电子关联相结合，可以实现令人感兴趣的量子反常霍尔效应和金属-绝缘体跃迁，在量子信息、自旋电子学和谷电子学方面具有广阔的前景。在这里，我们提出了通过基于d轨道的超原子晶格设计新颖的二维 (2D) 磁态的方法。具体来说，我们选择三角形二氯化锆盘作为超原子来构建蜂窝状超原子晶格。通过第一性原理计算，我们确定了一系列具有不同尺寸超原子的二维磁态。我们发现超原子晶格的不均匀化学计量和几何效应会产生以不同磁性配置排列的自旋极化电荷，包括铁磁着色三角形、反铁磁蜂窝和铁磁戈薇晶格。有吸引力的是，这些磁态被赋予了非平凡的带拓扑或强相关性，形成了理想的陈绝缘体或反铁磁狄拉克莫特绝缘体。我们的工作不仅揭示了基于d轨道的超原子产生不寻常磁性配置的 潜力，而且还为纳米尺度的材料工程提供了一条新途径。