论文标题
磁带表示，fu-kane样对称指标和磁性拓扑材料
Magnetic band representations, Fu-Kane-like symmetry indicators and magnetic topological materials
论文作者
论文摘要
为了实现新颖的拓扑阶段并在低能消耗中追求潜在的应用，对磁性拓扑材料的研究引起了极大的兴趣。从非磁性拓扑量子化学理论开始[Bradlyn等，Nature 547，298（2017）]，我们在动量空间中获得了不可还原（CO）的表示（CO）表示和兼容性（CO）和兼容性关系（CRS），我们在抗imimi和Antimi的Space smace（MBR）中构建了完整的磁频段（MBR）列表（MBRS）。味精）。结果与磁拓扑量子化学一致[Elcoro等，Nat。通讯。 12，5965（2021）]。使用CRS和MBR，我们重现了MSG的基于对称性的分类，并在无旋转（玻感）和跨度（Fermionic）系统中获得了一组Fu-kane类似于对称指标（SIS）的公式，这些配方是用自动代码-TOPMAT -TOPMAT-TOPMAT-TOPMAT-TOPMAT-TOPMAT-TOPMAT-TOPMAT-TOPMAT-TOPICOLICATION磁性材料实现的。磁性拓扑材料的占用状态不能分解为MBR的总和，与非零SI是一致的。最后，使用我们的在线代码，我们对材料数据库中的磁化合物进行了自旋偏振计算，并找到了许多磁性拓扑候选物。
To realize novel topological phases and to pursue potential applications in low-energy consumption spintronics, the study of magnetic topological materials is of great interest. Starting from the theory of nonmagnetic topological quantum chemistry [Bradlyn et al., Nature 547, 298 (2017)], we have obtained irreducible (co)representations and compatibility relations (CRs) in momentum space, and we constructed a complete list of magnetic band (co)representations (MBRs) in real space for other MSGs with anti-unitary symmetries (i.e. type-III and type-IV MSGs). The results are consistent with the magnetic topological quantum chemistry [Elcoro et al., Nat. Comm. 12, 5965 (2021)]. Using the CRs and MBRs, we reproduce the symmetry-based classifications for MSGs, and we obtain a set of Fu-Kane-like formulas of symmetry indicators (SIs) in both spinless (bosonic) and spinful (fermionic) systems, which are implemented in an automatic code - TopMat - to diagnose topological magnetic materials. The magnetic topological materials, whose occupied states can not be decomposed into a sum of MBRs, are consistent with nonzero SIs. Lastly, using our online code, we have performed spin-polarized calculations for magnetic compounds in the materials database and find many magnetic topological candidates.
