A Monopole Mining Method for High Throughput Screening Weyl Semimetals

Abstract

Although topological invariants have been introduced to classify the appearance of protected electronic states at surfaces of insulators, there are no corresponding indexes for Weyl semimetals whose nodal points may appear randomly in the bulk Brillouin Zone (BZ). Here we use a well-known result that every Weyl point acts as a Dirac monopole and generates integer Berry flux to search for the monopoles on rectangular BZ grids that are commonly employed in self-consistent electronic structure calculations. The method resembles data mining technology of computer science and is demonstrated on locating the Weyl points in known Weyl semimetals. It is subsequently used in high throughput screening several hundreds of compounds and predicting a dozen new materials hosting nodal Weyl points and/or lines.

arXiv comment6 pages, 4 figures, 1 table, supplementary info (1 table, 13 figures)

References in corpus (36)

• Topological Insulators
• Quantum Spin Hall Effect in Graphene
• Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
• Electronic Structure of Pyrochlore Iridates: From Topological Dirac Metal to Mott Insulator
• Weyl and Dirac Semimetals in Three Dimensional Solids
• Topological Insulators with Inversion Symmetry
• Discovery of a Weyl Fermion Semimetal and Topological Fermi Arcs
• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Type-II Weyl Semimetals
• Topological invariants of time-reversal-invariant band structures
• Weyl Semimetal in a Topological Insulator Multilayer
• Experimental discovery of Weyl semimetal TaAs
• Topological nodal semimetals
• Observation of the chiral anomaly induced negative magneto-resistance in 3D Weyl semi-metal TaAs
• Topological Crystalline Insulators in the SnTe Material Class
• The (High Quality) Topological Materials In The World
• Anomalous Hall Effect and Magnetic Monopoles in Momentum-Space
• Tunable Multifunctional Topological Insulators in Ternary Heusler Compounds
• Catalogue of Topological Electronic Materials
• Time Reversal Polarization and a Z_2 Adiabatic Spin Pump
• Quantum Hall effects in a Weyl Semi-Metal: possible application in pyrochlore Iridates
• Symmetry-based Indicators of Band Topology in the 230 Space Groups
• Towards ideal topological materials: Comprehensive database searches using symmetry indicators
• A new platform for topological quantum phenomena : Topological Insulator states in thermoelectric Heusler-related ternary compounds
• Linear-response theory and lattice dynamics: a muffin-tin orbital approach
• Topological classification of crystalline insulators through band structure combinatorics
• Spectroscopic evidence for type II Weyl semimetal state in MoTe2
• Z2Pack: Numerical Implementation of Hybrid Wannier Centers for Identifying Topological Materials
• Triple Point Topological Metals
• Line-Node Dirac Semimetal and Topological Insulating Phase in Noncentrosymmetric Pnictides CaAgX (X = P, As)
• Quantum spin Hall effect in three dimensional materials: Lattice computation of Z${}_2$ topological invariants and its application to Bi and Sb
• Topological Crystalline Kondo Insulator in Mixed Valence Ytterbium Borides
• First-principles calculation of topological invariants Z2 within the FP-LAPW formalism
• High Surface Conductivity of Fermi Arc Electrons in Weyl semimetals
• Two different topological insulator phases in NaBaBi
• Turning Copper Metal into Weyl Semimetal

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• Probing the superconducting gap structure in the noncentrosymmetric topological superconductor ZrRuAs
• High-throughput screening for Weyl Semimetals with S${}_4$ Symmetry
• Weyl Semimetals with $S_4$ symmetry
• Correlation Driven Topological Insulator-to-Weyl Semimetal Transition in Actinide System UNiSn
• Renormalized quasiparticles, topological monopoles and superconducting line nodes in heavy fermion CeTX${}_3$ compounds
• Colossal anomalous Nernst effect in a correlated noncentrosymmetric kagome ferromagnet
• Photo-induced modification and relaxation dynamics of Weyl-semimetals
• Absence of backscattering in Fermi-arc-mediated conductivity of topological Dirac semimetal Cd${}_3$As${}_2$
• Measurements of electronic band structure in CeCoGe${}_3$ by angle-resolved photoemission spectroscopy