Related papers: Topological Materials Discovery using Electron Fil…
"Topological Quantum Chemistry (TQC) links the chemical and symmetry structure of a given material with its topological properties. This field tabulates the data of the 10398 real-space atomic limits of materials, and solves the…
Coexistence of topological elements in a topological metal/semimetal (TM) has gradually attracted attentions. However, the non-topological factors always mess up the Fermi surface and cover interesting topological properties. Here, we find…
Nodal line semimetals are characterized by symmetry-protected band crossing lines and are expected to exhibit nontrivial electronic properties. Connections of the multiple nodal lines, resulting in nodal nets, chains, or links, are…
We review recent theoretical progress in the understanding and prediction of novel topological semimetals. Topological semimetals define a class of gapless electronic phases exhibiting topologically stable crossings of energy bands.…
Crystallographic symmetries enforcing band touchings (BTs) in the Brillouin zone (BZ) have been utilized to classify and predict the topological semimetals. Though the early proposed topological semimetals contain isolated nodal points in…
Materials with tunable topological features, simple crystal structure and flexible synthesis, are in extraordinary demand towards technological exploitation of unique properties of topological nodal points. The controlled design of the…
One of key challenges in current material research is to search for new topological materials with inverted bulk-band structure. In topological insulators, the band inversion caused by strong spin-orbit coupling leads to opening of a band…
The Nielsen--Ninomiya theorem requires that the total topological chiral charges in a crystal vanish, a constraint typically satisfied by identical nodes like Weyl--Weyl pairs. Whether a minimal heterogeneous configuration -- comprising a…
Nodal-line semimetals with magnetic orders have been theoretically predicted and experimentally observed in only few compounds. We theoretically explore the electronic structure in bulk and boundary of such a magnetic nodal-line state by…
Following over a decade of intense efforts to enable major progress in spintronics devices and quantum information technology by means of materials in which the electronic structure exhibits non-trivial topological properties, three key…
Flat electronic bands are expected to show proportionally enhanced electron correlations, which may generate a plethora of novel quantum phases and unusual low-energy excitations. They are increasingly being pursued in $d$-electron-based…
Topological insulators (TIs) are materials with an insulating bulk characterized by a gapped band structure, along with gapless metallic surface states having a Dirac cone with a helical spin structure in momentum space. The helical…
In topological quantum materials the conduction and valence bands are connected at points (Dirac/Weyl semimetals) or along lines (Line Node semimetals) in the momentum space. Numbers of studies demonstrated that several materials are indeed…
A data mining study of electronic Kohn-Sham band structures was performed to identify Dirac materials within the Organic Materials Database (OMDB). Out of that, the 3-dimensional organic crystal…
A material's electronic topology, which is generally described via its Bloch states and the associated bandstructure, will be enriched by the presence of interactions. In metallic settings, the interactions are usually treated through the…
Conventionally, high-throughput computational materials searches start from an input set of bulk compounds extracted from material databases, and this set is screened for candidate materials for specific applications. In contrast, many…
In this article, we provide an overview of the basic concepts of novel topological materials. This new class of materials developed by combining the Weyl/Dirac fermionic electron states and magnetism, provide a materials-science platform to…
Topological materials have attracted considerable experimental and theoretical attention. They exhibit strong spin-orbit coupling both in the band structure (intrinsic) and in the impurity potentials (extrinsic), although the latter is…
Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal structures. Previous networks trained on two million materials…
Topological semimetals generally contain heavy elements. Using density-functional theoretic calculations, we predict that three dense lithium polymorphs in the pressure range 200--360 GPa display nontrivial semimetallic electronic…