Catalogue of topological phonon materials

Abstract

Phonons play a crucial role in many properties of solid state systems, such as thermal and electrical conductivity, neutron scattering and associated effects or superconductivity. Hence, it is expected that topological phonons will also lead to rich and unconventional physics and the search of materials hosting topological phonons becomes a priority in the field. In electronic crystalline materials, a large part of the topological properties of Bloch states can be indicated by their symmetry eigenvalues in reciprocal space. This has been adapted to the high-throughput calculations of topological materials, and more than half of the stoichiometric materials on the databases are found to be topological insulators or semi-metals. Based on the existing phonon materials databases, here we have performed the first catalogue of topological phonon bands for more than ten thousand three-dimensional crystalline materials. Using topological quantum chemistry, we calculate the band representations, compatibility relations, and band topologies of each isolated set of phonon bands for the materials in the phonon databases. We have also calculated the real space invariants for all the topologically trivial bands and classified them as atomic and obstructed atomic bands. In particular, surface phonon modes (dispersion) are calculated on different cleavage planes for all the materials. Remarkably, we select more than one thousand "ideal" non-trivial phonon materials to fascinate the future experimental studies. All the data-sets obtained in the the high-throughput calculations are used to build a Topological Phonon Database.

8+535 pages, 187 figures, 21 tables. The Topological Phonon Database is available at https://www.topologicalquantumchemistry.com/topophonons or https://www.topologicalquantumchemistry.fr/topophonons

References in corpus (7)

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• Double-Weyl phonons in transition-metal monosilicides
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• Graph Theory Data for Topological Quantum Chemistry
• Phononic Helical Nodal Lines with $\mathcal{P}\mathcal{T}$ Protection in MoB${}_2$
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Cited by in corpus (19)

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• Quantifying nonadiabaticity in major families of superconductors
• Majorana corner modes in unconventional monolayers of the 1T-PtSe2 family
• Observation of Topological Nodal-Ring Phonons in Monolayer Hexagonal Boron Nitride
• Chiral Topological Phononic Quasiparticles in Enantiomeric Crystals SrSi${}_2$ and BaSi${}_2$
• Symmetry-driven Phononic Metamaterials
• Topological switching in bilayer magnons via electrical control
• Catalogue of chiral phonon materials
• Transversality-Enforced Tight-Binding Models for 3D Photonic Crystals aided by Topological Quantum Chemistry
• High-throughput search for topological magnon materials
• Realization of Hopf-link structure in phonon spectra: Symmetry guidance and High-throughput investigation
• Topological Magnetic Phases and Magnon-Phonon Hybridization in the Presence of Strong Dzyaloshinskii-Moriya Interaction
• Observation of angular momentum transfer among crystal lattice modes
• Phonon Weyl points and chiral edge modes with unconventional Fermi arcs in NbSi${}_2$
• Spacetime symmetry indicators for two-dimensional Floquet topological insulators
• Nonlocality and Strength of Interatomic Interactions Inducing the Topological Phonon Phase Transition
• ToMSGKpoint: A user-friendly package for computing symmetry transformation properties of electronic eigenstates of nonmagnetic and magnetic crystalline materials
• Inherited Berry curvature of phonons in Dirac materials with time-reversal symmetry
• Ferroelectrically Controlled Chirality Switching of Weyl Quasiparticles