Kagome materials serve as crucial platforms for investigating the quantum anomalous Hall effect (QAHE) due to the presence of kagome bands in their electronic structures. However, despite the theoretical predictions being proposed, kagome band material realizations have been limited. In this work, through tight-binding (TB) model analysis, by setting the nearest-neighbor hopping integrals with opposite signs, we propose a Yin–Yang kagome band structure characterized by two stable enantiomorphic kagome bands. Furthermore, we design a monolayer V3Cl6 to confirm the TB model. Three V atoms are located in different coordination environments in V3Cl6, so opposite signs of the hopping integrals between two of their orthogonal d orbitals can be achieved, which is the key to realize Yin–Yang kagome band structures. The calculated band structures obtained from first principles are consistent with those from the TB model. Additionally, we find that the two enantiomorphic flat bands in monolayer V3Cl6 possess opposite Chern number after spin–orbit coupling is considered, which can also be confirmed from symmetry index analysis. The Chern numbers as well as the topological properties can be modulated by doping hole or adjusting the magnetization directions, so the QAHE can be tuned in monolayer V3Cl6. Our results provide a practicable pathway for realizing Yin–Yang kagome band structures and achieving tunable QAHE in them.

中文翻译：

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单层V3Cl6中阴阳戈薇能带和可调谐量子反常霍尔效应的实现


由于 Kagome 材料的电子结构中存在 Kagome 带，因此它成为研究量子反常霍尔效应 (QAHE) 的重要平台。然而，尽管提出了理论预测，戈薇带材料的实现仍然受到限制。在这项工作中，通过紧束缚（TB）模型分析，通过设置具有相反符号的最近邻跳跃积分，我们提出了一种以两个稳定的对映体戈薇带为特征的阴阳戈薇带结构。此外，我们设计了单层 V3Cl6 来确认 TB 模型。 V3Cl6中三个V原子位于不同的配位环境，因此它们的两个正交d轨道之间的跳跃积分符号相反，这是实现阴阳戈薇能带结构的关键。由第一性原理计算得到的能带结构与TB模型的能带结构一致。此外，我们发现考虑自旋轨道耦合后，单层V3Cl6中的两个对映平带具有相反的陈数，这也可以从对称指数分析中得到证实。陈数和拓扑性质可以通过掺杂空穴或调整磁化方向来调制，因此可以在单层V3Cl6中调节QAHE。我们的结果为实现阴阳戈薇能带结构并在其中实现可调谐的QAHE提供了一条可行的途径。