Issue 18, 2022

Ideal nodal-net, nodal-chain, and nodal-cage phonons in some realistic materials

Abstract

The topological interpretation of phonons provides a new platform for new concepts in phonon physics. While reports on topological electronic excitations are plenty, the number of reports on phonons is extremely limited. In this paper, we present some realistic materials as examples and demonstrate the appearance of ideal nodal-net, nodal-chain, and nodal-cage phonons in these materials based on first-principle calculations; Pna21 LiAlSe2 has a nodal-net phonon, which is composed of two nodal-chain phonons along the UR and UZ directions; Pnma NaMgH3 has a nodal-chain phonon in the extended Brillouin zone (BZ), which comprises two Weyl nodal-ring phonons in the kxkz and kxky planes. Moreover, P42/ncm AuBr has a nodal-cage phonon, which is composed of nodal-line phonons in the kz = 0, kz = π, kx = 0, and ky = 0 planes. Because the presented phonon bands and phonon surface states in these materials are quite clean, they can be easily detected in experiments. Our research results provide an ideal platform for realising complex geometric shapes (formed by nodal lines) in the momentum space of phonons.

Graphical abstract: Ideal nodal-net, nodal-chain, and nodal-cage phonons in some realistic materials

Supplementary files

Article information

Article type
Paper
Submitted
14 Feb 2022
Accepted
22 Apr 2022
First published
22 Apr 2022

Phys. Chem. Chem. Phys., 2022,24, 11175-11182

Ideal nodal-net, nodal-chain, and nodal-cage phonons in some realistic materials

G. Ding, T. Sun and X. Wang, Phys. Chem. Chem. Phys., 2022, 24, 11175 DOI: 10.1039/D2CP00731B

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