Computation and data driven discovery of topological phononic materials

Abstract

The discovery of topological quantum states marks a new chapter in both condensed matter physics and materials sciences. By analogy to spin electronic system, topological concepts have been extended into phonons, boosting the birth of topological phononics (TPs). Here, we present a high-throughput screening and data-driven approach to compute and evaluate TPs among over 10,000 materials. We have clarified 5014 TP materials and classified them into single Weyl, high degenerate Weyl, and nodal-line (ring) TPs. Among them, three representative cases of TPs have been discussed in detail. Furthermore, we suggest 322 TP materials with potential clean nontrivial surface states, which are favorable for experimental characterizations. This work significantly increases the current library of TP materials, which enables an in-depth investigation of their structure-property relations and opens new avenues for future device design related to TPs.

Maintext: 7 pages and 4 figures; Supplementary Materials: 14,246 pages, 5100 supplementary figures and 11,782 supplementary tables

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Cited by in corpus (43)

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• Catalogue of topological phonon materials
• Kekule Lattice in Graphdiyne: Coexistence of Phononic and Electronic Higher-Order Band Topology
• Symmorphic and nonsymmorphic symmetries jointly-protected hourglass phonons
• Multi-gap topology and non-Abelian braiding of phonons from first principles
• Phononic real Chern insulator with protected corner modes in graphynes
• Symmetry-enforced ideal lantern-like phonons in ternary nitride Li${}_6$WN${}_4$
• Single Pair of Weyl Points in Nonmagnetic Crystals
• Hourglass Charge-Three Weyl Phonons
• Chiral phonons in honeycomb sublattice of layered CoSn-like compounds
• Degenerate topological line surface phonons in quasi-1D double helix crystal SnIP
• Symmetry-Enforced Nodal Chain Phonons
• Coexistence of zero-, one- and two-dimensional degeneracy in tetragonal SnO${}_2$ phonons
• Recipe for single-pair-Weyl-points phonons carrying the same chiral charges
• Dirac phonons in two-dimensional materials
• Topological continuum charges of acoustic phonons in 2D
• Coexistence of Multifold and Multidimensional Topological Phonons in KMgBO${}_3$
• Weyl Phonons: The connection of topology and chirality
• Topological Hybrids of Magnons and Magnon Bound Pairs
• Topological phonon analysis of the 2D buckled honeycomb lattice: an application to real materials
• Higher-order topological and nodal superconducting transition-metal sulfides MS (M = Nb and Ta)
• Nonlinear phonon Hall effects in ferroelectrics: its existence and non-volatile electrical control
• Hybrid nodal surface and nodal line phonons in solids
• Self-Supervised Generative Models for Crystal Structures
• Chiral phonons in binary compounds $A$Bi ($A$ = K, Rb, Cs) with P2${}_1$/c structure
• All hourglass bosonic excitations in the 1651 magnetic space groups and 528 magnetic layer groups
• Phonon modes and topological phonon properties in (GaN)x/(AlN)x and (AlGaN)x/(GaN)x superlattices
• Observation of Topological Nodal-Ring Phonons in Monolayer Hexagonal Boron Nitride
• Chiral Topological Phononic Quasiparticles in Enantiomeric Crystals SrSi${}_2$ and BaSi${}_2$
• Multiple types of unconventional quasiparticles in the chiral crystal CsBe${}_2$F${}_5$
• Chiral phononic and electronic edge modes of EuPtSi
• MPd5 kagome superconductors studied by density functional calculations
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• Phonon topology and winding of spectral weight in graphite
• Realization of Hopf-link structure in phonon spectra: Symmetry guidance and High-throughput investigation
• Enhancing Large Language Models with Domain-Specific Knowledge: The Case in Topological Materials
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• Theory of Superconductivity Mediated by Topological Phonons
• Axion detection with phonon-polaritons revisited
• Three-nodal surface phonons in solid-state materials: Theory and material realization
• Ferroelectrically Controlled Chirality Switching of Weyl Quasiparticles
• Nonlocality and Strength of Interatomic Interactions Inducing the Topological Phonon Phase Transition