2021/08/31 by C. W. Xie, Chengwu Xie, H. K. Yuan +8
Materials Science · Physics and Astronomy · #2D Materials and Applications #Boron and Carbon Nanomaterials Research #Brillouin zone #Condensed matter physics #Graphene research and applications #Phonon #Physics #Topological Materials and Phenomena #Type (biology) #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.104.134303
arxiv created 2021/08/31 · openalex publication_date 2021/10/11 · arxiv updated 2021/10/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01
This year, Liu et al. [Phys. Rev. B 104, L041405 (2021)] proposed another class of topological phonons [TPs, i.e., one-nodal surface (NS) phonons], which provides an effective route for realizing one-NS in phonon systems. In this work, based on first-principles calculations and symmetry analysis, we extended the types of NS phonons from one- to three-NS phonons. The existence of three-NS phonons [with three pairs of NS states on the ki=\ifmmode±\else\textpm\fi \ensuremathπ (i=x, y, z) planes in the three-dimensional Brillouin zone (BZ)] is enforced by the combination of twofold screw symmetry and time reversal symmetry. We screened all 230 space groups (SGs) and found nine candidate groups [with the SG numbers (Nos.) 19, 61, 62, 92, 96, 198, 205, 212, and 213] hosting three-NS phonons. Interestingly, with the help of first-principles calculations, we identified P212121-type YCuS2 (SG No. 19), Pbca-type NiAs2 (SG No. 61), Pnma-type SrZrO3 (SG No. 62), P41212-type LiAlO2 (SG No. 92), P43212-type ZnP2 (SG No. 96), P213-type NiSbSe (SG No. 198), Pa3-type As2Pt (SG No. 205), P4332-type BaSi2 (SG No. 212), and P4132-type CsBe2F5 (SG No. 213) as realistic materials hosting three-NS phonons. The results of our presented study enrich the class of NS states in phonon systems and provide concrete guidance for searching for three-NS phonons and singular Weyl point phonons in realistic materials.