Catalog of topological phonon materials

Area of Science:

• Solid-state physics
• Materials science
• Condensed matter theory

Background:

• Phonons are fundamental to solid-state properties.
• Topological phonons offer potential for novel physics.
• Existing databases lack comprehensive topological phonon information.

Purpose of the Study:

• To compile a catalog of topological phonon bands for crystalline materials.
• To identify materials with non-trivial topological phonon properties.
• To establish a resource for experimental research.

Main Methods:

• Utilized topological quantum chemistry principles.
• Analyzed band representations, compatibility relations, and band topologies.
• Calculated real-space invariants and classified trivial bands.

Main Results:

• Compiled a catalog of topological phonon bands for over 10,000 3D crystalline materials.
• Identified and classified topologically trivial bands (atomic and obstructed atomic).
• Selected over 1000 "ideal" nontrivial phonon materials.

Conclusions:

• Established a comprehensive Topological Phonon Database.
• The catalog provides a foundation for exploring topological phononics.
• Motivated future experimental investigations into topological phonon materials.