Chemical Rules for Stacked Kagome and Honeycomb Topological Semimetals

Abstract

We study the chemical rules for predicting and understanding topological states in stacked kagome and honeycomb lattices in both analytical and numerical ways. Starting with a minimal five-band tight-binding model, we sort out all the topological states into five groups, which are determined by the interlayer and intralayer hopping parameters. Combined with the model, we design an algorithm to obtain a series of experimentally synthesized topological semimetals with kagome and honeycomb layers, i.e., IAMX family (IA = Alkali metal element, M = Rare earth metal element, X = Carbon group element), in the inorganic crystal structure database. A follow-up high-throughput calculation shows that IAMX family materials are all nodal-line semimetals and they will be Weyl semimetals after taking spin-orbit coupling into consideration. To have further insights into the topology of the IAMX family, a detailed chemical rule analysis is carried out on the high-throughput calculations, including the lattice constants of the structure, intralayer and interlayer couplings, bond strengths, electronegativity, and so on, which are consistent with our tight-binding model. Our study provides a way to discover and modulate topological properties in stacked kagome and honeycomb crystals and offers candidates for studying topology-related properties like topological superconductors and axion insulators.

References in corpus (53)

• The electronic properties of graphene
• Weyl and Dirac Semimetals in Three Dimensional Solids
• WannierTools: An open-source software package for novel topological materials
• Weyl semimetal phase in non-centrosymmetric transition metal monophosphides
• Spin Liquid Ground State of the $S=1/2$ Kagome Heisenberg Model
• The (High Quality) Topological Materials In The World
• CsV${}_3$Sb${}_5$: a ${\mathbb{Z}}_2$ topological kagome metal with a superconducting ground state
• Massive Dirac fermions in a ferromagnetic kagome metal
• Topological nodal line semimetals with and without spin-orbital coupling
• Catalogue of Topological Electronic Materials
• Magnetic Weyl Semimetal Phase in a Kagome Crystal
• Topological Node-Line Semimetal in Three Dimensional Graphene Networks
• Topological nodal line semimetals
• Discovery of unconventional chiral charge order in kagome superconductor KV3Sb5
• Fermi-arc diversity on surface terminations of the magnetic Weyl semimetal Co3Sn2S2
• Large intrinsic anomalous Hall effect in half-metallic ferromagnet Co3Sn2S2 with magnetic Weyl fermions
• Roton pair density wave and unconventional strong-coupling superconductivity in a topological kagome metal
• Topological insulator on the kagome lattice
• Nodal-chain metals
• Cascade of correlated electron states in a kagome superconductor CsV3Sb5
• Topological kagome magnets and superconductors
• Unconventional Fermi surface instabilities in the Kagome Hubbard Model
• Time-reversal symmetry-breaking charge order in a kagome superconductor
• Charge density waves and electronic properties of superconducting kagome metals
• Competing electronic orders on Kagome lattices at van Hove filling
• Negative flat band magnetism in a spin-orbit coupled correlated kagome magnet
• Artificial graphene as a tunable Dirac material
• Topological Semimetals Predicted from First-principles Calculations
• Giant and anisotropic many-body spin-orbit tunability in a strongly correlated kagome magnet
• Properties of an algebraic spin liquid on the kagome lattice
• Correlation-driven chiral superconductivity and chiral spin order in doped kagome lattice
• Sublattice Interference in the Kagome Hubbard Model
• Rotation symmetry breaking in the normal state of a kagome superconductor KV3Sb5
• Rich Nature of Van Hove Singularities in Kagome Superconductor CsV${}_3$Sb${}_5$
• Chiral anomaly, Charge Density Waves, and Axion Strings from Weyl Semimetals
• Evidence for an axionic charge density wave in the Weyl semimetal (TaSe4)2I
• Symmetry Demanded Topological Nodal-line Materials
• Spin and the Honeycomb Lattice: Lessons from Graphene
• Nodeless electron pairing in CsV${}_3$Sb${}_5$-derived kagome superconductors
• A Charge-Density-Wave Topological Semimetal
• Two-Dimensional Node-Line Semimetals in a Honeycomb-Kagome Lattice
• Topological Insulators in Ternary Compounds with a Honeycomb Lattice
• Magnetic catalysis and axionic charge-density-wave in Weyl semimetals
• MagneticTB: A package for tight-binding model of magnetic and non-magnetic materials
• Spin-reorientation-induced band gap in Fe${}_3$Sn${}_2$: Optical signatures of Weyl nodes
• Topological semimetal in honeycomb lattice LnSI
• Chiral phonons in honeycomb sublattice of layered CoSn-like compounds
• Two-orbital effective model for magnetic Weyl semimetal in Kagome-lattice shandite
• Charge density waves in Weyl semimetals
• Endless Dirac nodal lines in kagome-metal Ni3In2S2
• Doping quantum spin liquids on the Kagome lattice
• Hybrid topological magnon-phonon modes in honeycomb and kagome lattices
• Phononic drumhead surface state in distorted kagome compound RhPb

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• Correlation stabilized ferromagnetic MnRuAs with distorted kagome lattice
• Noncollinear antiferromagnetic structure and physical properties of CrRhAs with distorted kagome lattice