Electrides as a New Platform of Topological Materials

Recent discoveries of topological phases realized in electronic states in solids have revealed an important role of topology, which ubiquitously appears in various materials in nature. Many well-known materials have turned out to be topological materials, and this new viewpoint of topology has opened a new horizon in material science. In this paper we find that electrides are suitable for achieving various topological phases, including topological insulating and topological semimetal phases. In the electrides, in which electrons serve as anions, the bands occupied by the anionic electrons lie near the Fermi level, because the anionic electrons are weakly bound by the lattice. This property of the electrides is favorable for achieving band inversions needed for topological phases, and thus the electrides are prone to topological phases. From such a point of view, we find many topological electrides, Y$_2$C (nodal-line semimetal (NLS)), Sc$_2$C (insulator with $\pi$ Zak phase), Sr$_2$Bi (NLS), HfBr (quantum spin Hall system), and LaBr (quantum anomalous Hall insulator), by using ab initio calculation. The close relationship between the electrides and the topological materials is useful in material science in both fields.Comment: 12 pages, 9 figure

Topological invariant and domain connectivity in moir\'e materials

Recently, a moir\'e material has been proposed in which multiple domains of different topological phases appear in the moir\'e unit cell due to a large moir\'e modulation. Topological properties of such moir\'e materials may differ from that of the original untwisted layered material. In this paper, we study how the topological properties are determined in moir\'e materials with multiple topological domains. We show a correspondence between the topological invariant of moir\'e materials at the Fermi level and the topology of the domain structure in real space. We also find a bulk-edge correspondence that is compatible with a continuous change of the truncation condition, which is specific to moir\'e materials. We demonstrate these correspondences in the twisted Bernevig-Hughes-Zhang model by tuning its moir\'e periodic mass term. These results give a feasible method to evaluate a topological invariant for all occupied bands of a moir\'e material, and contribute to the design of topological moir\'e materials and devices.Comment: 12 pages, 12 figure