论文标题
具有高热动力学稳定性的基于钴的磁性WEYL半法
Cobalt-Based Magnetic Weyl Semimetals with High-Thermodynamic Stabilities
论文作者
论文摘要
实验将CO3SN2S2鉴定为第一个磁性Weyl半分（MWSM）。我们使用使用全球优化方法的第一原理计算，探索钴的结构稳定性和拓扑电子特性（基于CO的Shandite和Alloys，CO3MM-X2（M/M/M = GE，SN，SN，PB，PB，X = S，SE，TE），并使用新的Weyl阶段来确定新的Weyl阶段。 shandite结构是不同kagome层中的CO原子之间的层间耦合，而Weyl点及其类型的数量主要由CO和金属原子，SN，GE和PB之间的相互作用控制，这是根据两个与SN和PB的相对位置的相对位置：与CO2SN2S2大的霍尔电导率（〜1290）相比，我们的工作揭示了在基于CO的Shandite结构中韦尔·费米斯起源的物理机制，并提出了具有高热稳定性的新拓扑量子状态。
Experiments identified Co3Sn2S2 as the first magnetic Weyl semimetal (MWSM). Using first-principles calculation with a global optimization approach, we explore the structural stabilities and topological electronic properties of cobalt (Co-based shandite and alloys, Co3MM-X2 (M/M-=Ge, Sn, Pb, X=S, Se, Te), and identify new stable structures with new Weyl phases. Using a tight-binding model, for the first time, we reveal that the physical origin of the nodal lines of a Co-based shandite structure is the interlayer coupling between Co atoms in different Kagome layers, while the number of Weyl points and their types are mainly governed by the interaction between Co and the metal atoms, Sn, Ge, and Pb. The Co3SnPbS2 alloy exhibits two distinguished topological phases, depending on the relative positions of the Sn and Pb atoms: a three-dimensional quantum anomalous Hall metal, and a MWSM phase with anomalous Hall conductivity (~1290) that is larger than that of Co2Sn2S2. Our work reveals the physical mechanism of the origination of Weyl fermions in Co-based shandite structures and proposes new topological quantum states with high thermal stability.
