High-throughput screening for Weyl Semimetals with S${}_4$ Symmetry

Abstract

Based on irreducible representations (or symmetry eigenvalues) and compatibility relations, a material can be predicted to be a topological/trivial insulator [satisfying compatibility relations] or a topological semimetal [violating compatibility relations]. However, Weyl semimetals usually go beyond this symmetry-based strategy. In other words, Weyl nodes could emerge in a material, no matter if its occupied bands satisfy compatibility relations, or if the symmetry indicators are zero. In this work, we propose a new topological invariant $\chi$ for the systems with S${}_4$ symmetry [i.e., the improper rotation S${}_4$ ($\equiv$ IC${}_{4z}$) is a proper four-fold rotation (C${}_{4z}$) followed by inversion (I)], which can be used to diagnose the Weyl semimetal phase. Moreover, $\chi$ can be easily computed through the one-dimensional Wilson-loop technique. By applying this method to the high-throughput screening in first-principles calculations, we predict a lot of Weyl semimetals in both nonmagnetic and magnetic compounds. Various interesting properties (e.g. magnetic frustration effects, superconductivity and spin-glass order, etc.) are found in predicted Weyl semimetals, which provide realistic platforms for future experimental study of the interplay between Weyl fermions and other exotic states.

arXiv comment9 pages, 6 figures, 2 tables

References in corpus (33)

• Electronic Structure of Pyrochlore Iridates: From Topological Dirac Metal to Mott Insulator
• Maximally localized Wannier functions: Theory and applications
• Type-II Weyl Semimetals
• Weyl Semimetal in a Topological Insulator Multilayer
• Topological quantum chemistry
• Phase transition between the quantum spin Hall and insulator phases in 3D: emergence of a topological gapless phase
• The (High Quality) Topological Materials In The World
• Anomalous Hall Effect and Magnetic Monopoles in Momentum-Space
• Catalogue of Topological Electronic Materials
• An equivalent expression of Z2 Topological Invariant for band insulators using Non-Abelian Berry's connection
• Symmetry-based Indicators of Band Topology in the 230 Space Groups
• Towards ideal topological materials: Comprehensive database searches using symmetry indicators
• Fragile Topology and Wannier Obstructions
• Irvsp: to obtain irreducible representations of electronic states in the VASP
• Quantitative mappings between symmetry and topology in solids
• Fermi Surface Topological Invariants for Time Reversal Invariant Superconductors
• Building Blocks of Topological Quantum Chemistry: Elementary Band Representations
• Weyl semimetals from noncentrosymmetric topological insulators
• Efficient Topological Materials Discovery Using Symmetry Indicators
• Topology of Disconnected Elementary Band Representations
• Time-reversal invariant topological superconductivity in doped Weyl semimetals
• Graph Theory Data for Topological Quantum Chemistry
• Superconductivity in the A15 Structure
• Emergent topological and half semimetallic Dirac Fermions at oxide interfaces
• Magnetic semimetals and quantized anomalous Hall effect in EuB6
• Unified understanding of symmetry indicators for all internal symmetry classes
• Topological semimetal in honeycomb lattice LnSI
• Comprehensive scan for nonmagnetic Weyl semimetals with nonlinear optical response
• Incommensurate magnetic ordering in $C{u}_{2}T{e}_2{O}_5{X}_2$ (X=Cl,Br) studied by neutron diffraction
• Topological Electronic States in HfRuP Family Superconductors
• Neutron inelastic scattering investigation of the magnetic excitations in Cu_2Te_2O_5X_2 (X=Br, Cl)
• A Monopole Mining Method for High Throughput Screening Weyl Semimetals
• Weyl Semimetals with $S_4$ symmetry

Cited by in corpus (14)

• All Topological Bands of All Nonmagnetic Stoichiometric Materials
• First Principles Calculations for Topological Quantum Materials
• Unconventional Materials: the mismatch between electronic charge centers and atomic positions
• Magnetic Weyl semimetal in K${}_2$Mn${}_3$(AsO${}_4$)${}_3$ with the minimum number of Weyl points
• Manipulation and braiding of Weyl nodes using symmetry-constrained phase transitions
• Doubled Quantum Spin Hall Effect with High-Spin Chern Number in $\alpha$-Antimonene and $\alpha$-Bismuthene
• Symmetry-enforced Band Nodes in 230 Space Groups
• Topological states in superlattices of HgTe-class materials for engineering three-dimensional flat bands
• Large spin Hall conductivity and excellent hydrogen evolution reaction activity in unconventional PtTe1.75 monolayer
• Twisted nodal wires and three-dimensional quantum spin Hall effect in distorted square-net compounds
• Magnetic band representations, Fu-Kane-like symmetry indicators and magnetic topological materials
• High-throughput screening of Weyl semimetals
• The evolution of Weyl nodes in Ni doped thallium niobate pyrochlore Tl${}_{2-x}$Ni${}_x$Nb${}_2$O${}_7$
• Magnetic topological Weyl fermions in half-metallic In${}_2$CoSe${}_4$