Electrides as a New Platform of Topological Materials

Abstract

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.

12 pages, 9 figures

References in corpus (17)

• Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
• Topological Insulators with Inversion Symmetry
• Quantized Anomalous Hall Effect in Magnetic Topological Insulators
• Topological quantum chemistry
• Weyl semimetal phase in non-centrosymmetric transition metal monophosphides
• Phase transition between the quantum spin Hall and insulator phases in 3D: emergence of a topological gapless phase
• Symmetry-based Indicators of Band Topology in the 230 Space Groups
• Quantum Anomalous Hall Effect in Hg${}_{1-y}$Mn${}_y$Te Quantum Wells
• Quantum Spin Hall Effect and Enhanced Magnetic Response by Spin-Orbit Coupling
• Line of Dirac Nodes in Hyper-Honeycomb Lattices
• Screened Coulomb interaction in the maximally localized Wannier basis
• Weyl Node and Spin Texture in Trigonal Tellurium and Selenium
• 3D Dirac semimetals: current materials, design principles and predictions of new materials
• Weyl semimetals from noncentrosymmetric topological insulators
• Topological semimetals studied by ab initio calculations
• Two-dimensional topological nodal line semimetal in layered $X_{2}Y$ ($X$ = Ca, Sr, and Ba; $Y$ = As, Sb, and Bi)
• Intrinsic large gap quantum anomalous Hall insulators in La$X$ ($X$=Br, Cl, I)

Cited by in corpus (22)

• Formation of 2D single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2
• Dimensional Crossover of Topological Edge States in Su-Schrieffer-Heeger Model
• The role of delocalized chemical bonding in square-net-based topological semimetals
• Intrinsic Ferromagnetism in Electrenes
• Ferromagnetic Weyl Fermions in Two-Dimensional Layered Electride Gd${}_2$C
• Application of topological quantum chemistry in electrides
• Six-fold Excitations in Electrides
• Anomalous Dirac Plasmons in 1D Topological Electrides
• Ternary Inorganic Electrides with mixed bonding
• Computational Design of Flexible Electrides with Non-trivial Band Topology
• Double Dirac Nodal Line Semimetal with Torus Surface State
• Topological semimetal phases manifested in transition metal dichalcogenides intercalated with 3d metals
• Higher-Order Topological Crystalline Insulating Phase and Quantized Hinge Charge in Topological Electride Apatite
• Emerging Two-Dimensional Magnetism in Nonmagnetic Electrides Hf2X (X = S, Se, Te)
• Switchable Atomically Thin 2D Electrides from First-principles Prediction
• Efficient hydrogen evolution reaction due to topological polarization
• Interlayer Exchange Interaction Driven Topological Phase Transition in Antiferromagnetic Electride Gd${}_2$O
• Magnetic surface on nonmagnetic bulk of electride Hf2S
• Nodal lines and mapping to mirror Chern numbers in Ca${}_2$As family
• A complementary screening for quantum spin Hall insulators in 2D exfoliable materials
• First-Principles Design of Halide-Reduced Electrides: Magnetism and Topological Phases
• Correlated Zak insulator in organic antiferromagnets