Orbital shift-induced boundary obstructed topological materials with a large energy gap

Abstract

We propose boundary obstructed topological phases caused by Wannier orbital shift between ordinary atomic sites, which, however, cannot be indicated by symmetry eigenvalues at high symmetry momenta (symmetry indicators) in bulk. On the open boundary, Wannier charge centers can shift to different atoms from those in bulk, leading to in-gap surface states, higher-order hinge states or corner states. To demonstrate such orbital-shift-induced boundary obstructed topological insulators, we predict eight material candidates, all of which were overlooked in present topological databases. Metallic surface states, hinge states, or corner states cover the large bulk energy gap (for example, more than 1 eV in TlGaTe${}_2$) at related boundary, which are ready for experimental detection. Additionally, we find these materials are also fragile topological insulators with hourglass like surface states.

References in corpus (50)

• Topological Insulators
• Topological insulators and superconductors
• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• WannierTools: An open-source software package for novel topological materials
• Quantized Electric Multipole Insulators
• Higher-Order Topological Insulators
• Topological quantum chemistry
• Colloquium: Topological Band Theory
• Electric Multipole Moments, Topological Multipole Moment Pumping, and Chiral Hinge States in Crystalline Insulators
• The (High Quality) Topological Materials In The World
• Topolectrical circuit realization of topological corner modes
• Observation of a phononic quadrupole topological insulator
• Catalogue of Topological Electronic Materials
• An equivalent expression of Z2 Topological Invariant for band insulators using Non-Abelian Berry's connection
• Acoustic higher-order topological insulator on a Kagome lattice
• Higher-Order Topology in Bismuth
• Demonstration of a quantized microwave quadrupole insulator with topologically protected corner states
• Symmetry-based Indicators of Band Topology in the 230 Space Groups
• Towards ideal topological materials: Comprehensive database searches using symmetry indicators
• Topological Crystalline Insulators and Topological Superconductors: From Concepts to Materials
• Fragile Topology and Wannier Obstructions
• Higher-order Topology of Axion Insulator EuIn${}_2$As${}_2$
• Two-dimensional second-order topological insulator in graphdiyne
• Quantitative mappings between symmetry and topology in solids
• Higher-Order Topological Insulator in Twisted Bilayer Graphene
• Structure and Topology of Band Structures in the 1651 Magnetic Space Groups
• Robust zero-energy modes in an electronic higher-order topological insulator: the dimerized Kagome lattice
• Möbius Insulator and Higher-Order Topology in MnBi${}_{2n}$Te${}_{3n+1}$
• Material design with the van der Waals stacking of bismuth-halide chains realizing a higher-order topological insulator
• Two-dimensional higher-order topology in monolayer graphdiyne
• Universal Approach to Magnetic Second-Order Topological Insulator
• Maximally Localized Wannier Functions within the FLAPW formalism
• Real Space Invariants: Twisted Bulk-Boundary Correspondence of Fragile Topology
• Symmetry Enforced Chiral Hinge States and Surface Quantum Anomalous Hall Effect in Magnetic Axion Insulator ${\text{Bi}}_{2-x}{\text{Sm}}_x{\text{Se}}_3$
• Boundary-obstructed topological phases
• Topology of Disconnected Elementary Band Representations
• Disconnected Elementary Band Representations, Fragile Topology, and Wilson Loops as Topological Indices: An Example on the Triangular Lattice
• First Principles Calculations for Topological Quantum Materials
• Boundary-obstructed topological high-T${}_c$ superconductivity in iron pnictides
• Unconventional Materials: the mismatch between electronic charge centers and atomic positions
• Obstructed surface states as the origin of catalytic activity in inorganic heterogeneous catalysts
• Topological Materials Discovery By Large-order symmetry indicators
• Multicellularity of delicate topological insulators
• Edge-Corner Correspondence: Boundary-Obstructed Topological Phases with Chiral Symmetry
• Fragile topologically flat band in the checkerboard antiferromagnetic monolayer FeSe
• Topology invisible to eigenvalues in obstructed atomic insulators
• Three-Dimensional Real Space Invariants, Obstructed Atomic Insulators and A New Principle for Active Catalytic Sites
• Filling-Enforced Obstructed Atomic Insulators
• Orbital shift-induced boundary obstructed topological materials with a large energy gap
• Glide Symmetry Protected Higher-Order Topological Insulators from Semimetals with butterfly-like Nodal Lines

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