Related papers: Three-Dimensional Real Space Invariants, Obstructe…
Topological band theory has achieved great success in the high-throughput search for topological band structures both in paramagnetic and magnetic crystal materials. However, a significant proportion of materials are topologically trivial…
According to topological quantum chemistry, a class of electronic materials have been called obstructed atomic insulators (OAIs), in which a portion of valence electrons necessarily have their centers located on some empty…
Topologically trivial insulators can be classified into atomic insulators (AIs) and obstructed atomic insulators (OAIs) depending on whether the Wannier charge centers are localized or not at spatial positions occupied by atoms. An OAI can…
The study of topological phases with unconventional bulk-boundary correspondences and nontrivial real Chern number has garnered significant attention in the topological states of matter. Using the first-principle calculations and…
The discovery of new catalysts that are efficient, sustainable, and low-cost is a major research endeavor for many industrial chemical processes. This requires an understanding and determination of the catalytic origins for the given…
Topological crystalline insulators (TCIs) are classified by topological invariants defined with respect to the crystalline symmetries of their gapped bulk. The bulk-boundary correspondence then links the topological properties of the bulk…
Three-dimensional obstructed atomic insulators (OAIs) are characterized by the appearance of floating surface states (FSSs) at specific surfaces. Benefiting from this feature, our study here shows the presence of abundant surface-semimetal…
Higher-order topological insulators (HOTIs) are described by symmetric exponentially decayed Wannier functions at some $necessary$ unoccupied Wyckoff positions and classified as obstructed atomic insulators (OAIs) in the topological quantum…
Topological band insulators and (semi-) metals can arise out of atomic insulators when the hopping strength between electrons increases. Such topological phases are separated from the atomic insulator by a bulk gap closing. In this work, we…
We adapt the topological quantum chemistry formalism to layer groups, and apply it to study the band topology of 8,872 entries from the computational two-dimensional (2D) materials databases C2DB and MC2D. In our analysis, we find 4,073…
We study a two-dimensional (2D) tight-binding model of a topological crystalline insulator (TCI) protected by rotation symmetry. The model is built by stacking two Chern insulators with opposite Chern numbers which transform under conjugate…
The paradigm of classifying three-dimensional (3D) topological insulators into strong and weak ones (STI and WTI) opens the door for the discovery of various topological phases of matter protected by different symmetries and defined in…
Obstructed atomic phases, with their realizations in systems of diverse dimensionality, have recently arisen as one of the topological states with greatest potential to show higher-order phenomena. In this work we report a special type of…
The recently introduced classification of two-dimensional insulators in terms of topological crystalline invariants has been applied so far to "obstructed" atomic insulators characterized by a mismatch between the centers of the electronic…
The major breakthroughs in the understanding of topological materials over the past decade were all triggered by the discovery of the Z$_2$ topological insulator (TI). In three dimensions (3D), the TI is classified as either "strong" or…
We show that certain band gaps, which appear topologically trivial from the perspective of symmetry indicators (SIs), must instead be topological, as guaranteed by real-space information that follows from Topological Quantum Chemistry…
We systematically study topological phases of insulators and superconductors (SCs) in 3D. We find that there exist 3D topologically non-trivial insulators or SCs in 5 out of 10 symmetry classes introduced by Altland and Zirnbauer within the…
Topological phases, especially topological crystalline insulators (TCIs), have been intensively explored observed experimentally in three-dimensional (3D) materials. However, the two-dimensional (2D) films are explored much less than 3D…
Two-dimensional (2D) materials have attracted much recent attention because they exhibit various distinct intrinsic properties/functionalities, which are, however, usually not interchangeable. Interestingly, here we propose a generic…
Topological crystalline insulators (TCIs) are insulating materials whose topological property relies on generic crystalline symmetries. Based on first-principles calculations, we study a three-dimensional (3D) crystal constructed by…