论文标题

带节点结构的完整分类

Complete classification of band nodal structures

论文作者

Tang, Feng, Wan, Xiangang

论文摘要

在过去的十年中,能量带的淋巴结结构(NSR)以点,线或表面形式在布里渊区(BZ)中脱生,以归化。但是,几乎具有可忽略的差距的NSR也可以拥有许多异国情调的量子反应和非平凡的拓扑特性,并且值得进行系统的研究。在这里,我们在1651个磁性空间组(MSGS)和528个磁性层组(MLG)中,在稀有和无旋转的设置中提供了所有可严格的对称性脱位的完整列表。我们首先应用兼容性关系(CRS),该关系编码从频段节点(BN)(位于BZ的对称点)分开的频带如何获得所有NSR(从BN发出)。 CRS的NSR绝对是严格的,并且根据所有BN的小组的所有不可还原表示。然后,我们在BNS周围构建了$ K \ CDOT P $模型,并证明任何BN都有一个截止$ K \ CDOT P $订单(最多为6个),足以预测相应的严格nsrs并包括高阶$ k \ cdot P $项,无法差距NSRS。我们将所有$ K \ CDOT P $模型提供到所有BN周围的截止订单,并通过降低$ K \ CDOT P $订单来全面探索所有近NSR。我们的结果表明,与BNS相同,NSR,尤其是NSRS也无处不在。例如,虽然严格的淋巴结表面只能存在于某些非词性味精中,但即使在许多低对称的MSG中,几乎可以发生几乎结节表面。此外,我们还发现,对于某些BN,$ K \ CDOT P $建模的方法比CRS更严格地提供了NSR。有了我们的完整列表,人们可以方便地获取任何两/三维和非磁性/磁性材料的所有可能的NSR,并且给出了目标NSR,也可以根据MSGS/MLGS设计/搜索材料实现。

Nodal structures (NSrs) where energy bands meet to be degenerate in the Brillouin zone (BZ) in the form of point, line or surface, received immense research interest in the past decade. However, the nearly NSrs with negligible gaps, can also own many exotic quantum responses and nontrivial topological properties and deserve a systematic investigation. Here, we provide a complete list of all symmetry-diagonalizable strictly and nearly NSrs in the 1651 magnetic space groups (MSGs) and 528 magnetic layer groups (MLGs) in both spinful and spinless settings. We first apply compatibility relations (CRs) which encode how bands split from a band node (BN) (located at a symmetric point of BZ), to obtain all NSrs (emanating from the BN). The NSrs by CRs are definitely strict and are exhaustively enumerated based on all irreducible representations of the little groups for all BNs. We then construct $k\cdot p$ models around BNs and prove that there is a cutoff $k\cdot p$ order (6 at most) for any BN which is sufficient to predict the corresponding strictly NSrs and including higher-order $k\cdot p$ terms cannot gap the NSrs. We provide all $k\cdot p$ models up to the cutoff orders around all the BNs, and comprehensively explore all the nearly NSrs by lowering the $k\cdot p$ order. Our results reveal that the same as BNs, the NSrs, especially the nearly NSrs, are also ubiquitous. For example, while strictly nodal surface can only exist in some nonsymmorphic MSGs, nearly nodal surface can occur even in many low symmetric MSGs. Moreover, we also find that for some BNs, the method of $k\cdot p$ modeling could give more strictly NSrs than CRs. With our complete list, one can conveniently obtain all possible NSrs for any two/three-dimensional and nonmagnetic/magnetic material, and given a target NSr, one can also design/search for materials realizations based on the MSGs/MLGs.

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