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 a π 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.
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机译：最近在固体中实现的电子国家实现的拓扑阶段的发现揭示了拓扑的重要作用，其在自然界中普遍出现在各种材料中。许多知名的材料已经证明是拓扑材料，这种新的拓扑观点在材料科学中开辟了新的地平线。在本文中，我们发现电极适用于实现各种拓扑阶段，包括拓扑绝缘和拓扑半决阶段。在电极中，在其中电子用作阴离子的情况下，阴离子电子占据的带位于费米水平附近，因为阴离子电子被晶格弱束缚。该电极的这种特性有利于实现拓扑相需要的频带逆逝，因此，电极容易发生拓扑相。从这种观点来看，我们发现许多拓扑电气化，Y 2 C [Nodal-Line半甲醛（NLS）]，SC 2 C（绝缘体具有πZak相的绝缘体），SR 2 Bi（NLS），HFBR（量子旋转厅系统）和Labr（量子异常霍尔绝缘体），通过使用AB in Initio计算。电力和拓扑材料之间的密切关系可用于两个领域的材料科学。
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