The (High Quality) Topological Materials In The World
arXiv:1807.10271 · doi:10.1038/s41586-019-0954-4
Abstract
"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 compatibility relations of electronic bands in momentum space. A material that is not an atomic limit or whose bands do not satisfy the compatibility relations, is a topological insulator/semimetal. We use TQC to find the topological stoichiometric non-magnetic, "high-quality'' materials in the world. We develop several code additions to VASP which can compute all characters of all symmetries at all high-symmetry points in the Brillouin Zone (BZ). Using TQC we then develop codes to check which materials in ICSD are topological. Out of 26938 stoichiometric materials in our filtered ICSD database, we find 2861 topological insulators (TI) and 2936 topological semimetals (2505 and 2560 non-f electron, respectively). Our method is uniquely capable to show that none of the TI's found exhibit fragile topology. We partition the topological materials in different physical classes. For the majority of the 5797 "high-quality'' topological material, we compute: the topological class (equivalence classes of TQC elementary band representations -- equivalent to the topological index), the symmetry(ies) that protects the topological class, the representations at high symmetry points and the direct gap (for insulators), and the topological index. For topological semimetals we then compute whether the system becomes a topological insulator (whose index/class we compute) upon breaking symmetries -- useful for experiments. 2152 more TI's are obtained in this way. For almost all 5065 non-f-electron topological materials, we provide the electronic band structures, allowing the identification of quantitative properties (gaps, velocities). Remarkably, our exhaustive results show that a large proportion ( ~ 24% !) of all materials in nature are topological (confirmed by calculations of "low-quality'' materials). We confirm the topology of several new materials by Wilson loop calculations. We added an open-source code and end-user button on the Bilbao Crystallographic Server (BCS) which checks the topology of any material. We comment on the chemistry of each compound and sample part of the "low-quality'' ICSD data to find more materials."
arXiv comment1958 pages and 4989 figures. New Version, several minor bugs, typos, and lists corrected; the current version of our codes have been now released on http://www.cryst.ehu.es/cryst/checktopologicalmat where the topological nature of any material can be checked
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- Spin Weyl Topological Insulators
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- Flat Bands Arising from Spin-Orbit Assisted Orbital Frustration
- Tuning of anomalous magnetotransport properties in half-Heusler topological semimetal GdPtBi
- Shubnikov-de Haas oscillations and planar Hall effect in HfTe2
- Topological phase in the extended Haldane-Hubbard model with sublattice-dependent repulsion
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- IrRep: symmetry eigenvalues and irreducible representations of ab initio band structures
- Correlated interaction effects in three-dimensional semi-Dirac semimetal
- Fermi surface studies of a non-trivial topological compound YSi
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- Non-trivial topological valence bands of common diamond and zinc-blende semiconductors
- Fragile topology in nodal-line semimetal superconductors
- Observation of Resonance of Kagome Flat Band Doublet
- Topological States in Chevrel Phase Materials from First-principle Calculations
- Spectroscopic Evidence on Realization of a Genuine Topological Nodal Line Semimetal in LaSbTe
- Design triple points, nexus points and related topological phases by stacking monolayers
- Dynamic melting and condensation of topological dislocation modes
- The destiny of obstructed atomic insulator under correlation
- Catalogue of chiral phonon materials
- Nonlinear bulk photocurrent probe Z2 topological phase transition
- Hybrid symmetry class topological insulators
- Topological nonsymmorphic insulator versus Dirac semimetal in KZnBi
- Phase diagram of the interacting Haldane model with spin-dependent sublattice potentials
- A New Magnetic Topological Quantum Material Candidate by Design
- Theory of fractional corner charges in cylindrical crystal shapes
- Temperature dependence of quantum oscillations from non-parabolic dispersions
- Superconductor Vortex Spectrum Including Fermi Arc States in Time-Reversal Symmetric Weyl Semimetals
- High-chirality and multiquaternion Weyl nodes in hexagonal ReO
- Pressure-driven superconductivity in the topological insulator GeBi4Te7
- Interacting Crystalline Topological Insulators in two-dimensions with Time-Reversal Symmetry
- Fermiology and transport properties of the proposed topological crystalline insulator SrAg4Sb2
- Symmetry-enforced Fermi degeneracy in topological semimetal RhSb
- Charge instability of topological Fermi arcs in chiral crystal CoSi
- Topological Aspects of Antiferromagnets
- Topological Spectral Bands with Frieze Groups
- Fermi Surface Topology and Magneto-transport Properties of Superconducting PdBiSe
- High-throughput search for topological magnon materials
- Realization of Hopf-link structure in phonon spectra: Symmetry guidance and High-throughput investigation
- Interacting Virtual Topological Phases in Defect-Rich 2D Materials
- Role of effective mass anisotropy in realizing a hybrid nodal-line fermion state
- Structural and magnetic properties of CoTeMoO revisited
- Band structure picture for topology in strongly correlated systems with the ghost Gutzwiller ansatz
- Spacetime symmetry indicators for two-dimensional Floquet topological insulators
- Nodal higher-order topological superconductivity from C6-symmetric Dirac semimetals
- Molecular Beam Epitaxy Growth and Doping Modulation of Topological Semimetal NiTe
- Local expression of fractional corner charges in obstructed atomic insulators and relationship with the fractional disclination charges
- Topological Charge Quadrupole Protected by Spin-Orbit U(1) Quasi-Symmetry in Antiferromagnet NdBiPt
- Physical properties of RhGe and CoGe single crystals synthesized under high pressure
- IRSSG: An Open-Source Software Package for Spin Space Groups
- Higher-order topological insulators in two-dimensional antiferromagnetic and altermagnetic chromium-based group-IV chalcogenides
- Thermodynamic and electronic properties of ReN polymorphs at high-pressure
- Fragile topological insulators protected by rotation symmetry without spin-orbit coupling
- Possible gapless helical edge states in hydrogenated graphene
- Eightfold Degenerate Dirac Nodal Line in Collinear Antiferromagnet MnSi
- Gapless States Localized along a Staircase Edge in Second-Order Topological Insulators
- Quantum geometry in correlated electron phases: from flat band to dispersive band
- Hidden wallpaper fermion and third-order topological insulator
- Higher-Order Topology in Monolayer FeSe
- Predicting Many Crystal Properties via an Adaptive Transformer-based Framework
- Confinement Effect Driven Quantum Spin Hall Effect in Monolayer AuTe2Cl
- Dichotomy of flat bands in the van der Waals ferromagnet FeGeTe
- Topological boundary states in engineered quantum-dot molecules on the InAs(111)A surface
- Fermi-surface diagnosis for topological superconductivity with -wave-like pairing symmetries
- Topological constraints on the electronic band structure of hexagonal lattice in a magnetic field
- Reentrant topological phase in half-Heusler compounds
- Topological property of graphene with triangular array of nanoholes
- Magnetic topological Weyl fermions in half-metallic InCoSe
- Periodic Behavior of Topology in Graphene with Nanohole Array
- Exploring Spectral Singularities in Dirac Semimetals: The Role of Non-Hermitian Physics and Dichroism
- Topological Dislocation Response in Elementary Semiconductors
- Design Principles for Topological Thermoelectrics
- Accelerated Discovery of Topological Conductors for Nanoscale Interconnects
- Crystal Structure, Magnetic Properties and Bonding Analysis of M3Pt23Ge11 (M=Ca, Sr, Ba and Eu)
- Electronic and topological properties of the van der Waals layered superconductor PtTe
- Projected branes as platforms for crystalline, superconducting, and higher-order topological phases
- Design and characterization of all two-dimensional fragile topological bands
- Van Roosbroeck's equations with topological terms: the case of Weyl semimetals
- Revealing Spin and Spatial Symmetry Decoupling: New Insights into Magnetic Systems with Dzyaloshinskii-Moriya Interaction
- Ferroelectrically Controlled Chirality Switching of Weyl Quasiparticles
- Three-dimensional spinless Euler insulators with rotational symmetry
- ToMSGKpoint: A user-friendly package for computing symmetry transformation properties of electronic eigenstates of nonmagnetic and magnetic crystalline materials
- de Haas-van Alphen effect of correlated Dirac states in kagome metal Fe3Sn2
- Majorana vortex phases in time-reversal invariant higher-order topological insulators and topologically trivial insulators
- Wavefunction-Free Approach for Predicting Nonlinear Responses in Weyl Semimetals
- Exploiting functions for the identification of topological materials
- Non-unique connection between bulk topological invariants and surface physics
- Predication of topological states in the allotropes of group-IV elements
- Magnetization signature of topological surface states in a non-symmorphic superconductor
- Towards a Topological Quantum Chemistry description of correlated systems: the case of the Hubbard diamond chain
- Robust large-gap topological insulator phase in transition-metal chalcogenide ZrTeSe
- Dynamical Symmetry Indicators for Floquet Crystals
- Symmetry-protected topological polarons
- Giant anomalous Hall and Nernst effect in magnetic cubic Heusler compounds
- Analysis of the singular band structure occurring in one-dimensional topological normal and superfluid fermionic systems: A pedagogical description