npj Computational Materials (Dec 2021)

Degenerate topological line surface phonons in quasi-1D double helix crystal SnIP

  • Bo Peng,
  • Shuichi Murakami,
  • Bartomeu Monserrat,
  • Tiantian Zhang

DOI
https://doi.org/10.1038/s41524-021-00667-6
Journal volume & issue
Vol. 7, no. 1
pp. 1 – 8

Abstract

Read online

Abstract Degenerate points/lines in the band structures of crystals have become a staple of the growing number of topological materials. The bulk-boundary correspondence provides a relation between bulk topology and surface states. While line degeneracies of bulk excitations have been extensively characterised, line degeneracies of surface states are not well understood. We show that SnIP, a quasi-one-dimensional van der Waals material with a double helix crystal structure, exhibits topological nodal rings/lines in both the bulk phonon modes and their corresponding surface states. Using a combination of first-principles calculations, symmetry-based indicator theories and Zak phase analysis, we find that two neighbouring bulk nodal rings form doubly degenerate lines in their drumhead-like surface states, which are protected by the combination of time-reversal symmetry $${{{\mathcal{T}}}}$$ T and glide mirror symmetry $${\bar{M}}_{y}$$ M ¯ y . Our results indicate that surface degeneracies can be generically protected by symmetries such as $${{{\mathcal{T}}}}{\bar{M}}_{y}$$ T M ¯ y , and phonons provide an ideal platform to explore such degeneracies.