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

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 ch...

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Main Authors: Bo Peng, Shuichi Murakami, Bartomeu Monserrat, Tiantian Zhang
Format: Article
Language:English
Published: Nature Portfolio 2021-12-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-021-00667-6
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author Bo Peng
Shuichi Murakami
Bartomeu Monserrat
Tiantian Zhang
author_facet Bo Peng
Shuichi Murakami
Bartomeu Monserrat
Tiantian Zhang
author_sort Bo Peng
collection DOAJ
description 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.
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spelling doaj.art-67b0e4defc4041418ac0533f410c385d2022-12-21T23:09:25ZengNature Portfolionpj Computational Materials2057-39602021-12-01711810.1038/s41524-021-00667-6Degenerate topological line surface phonons in quasi-1D double helix crystal SnIPBo Peng0Shuichi Murakami1Bartomeu Monserrat2Tiantian Zhang3TCM Group, Cavendish Laboratory, University of CambridgeDepartment of Physics, Tokyo Institute of Technology, Ookayama, Meguro-kuTCM Group, Cavendish Laboratory, University of CambridgeDepartment of Physics, Tokyo Institute of Technology, Ookayama, Meguro-kuAbstract 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.https://doi.org/10.1038/s41524-021-00667-6
spellingShingle Bo Peng
Shuichi Murakami
Bartomeu Monserrat
Tiantian Zhang
Degenerate topological line surface phonons in quasi-1D double helix crystal SnIP
npj Computational Materials
title Degenerate topological line surface phonons in quasi-1D double helix crystal SnIP
title_full Degenerate topological line surface phonons in quasi-1D double helix crystal SnIP
title_fullStr Degenerate topological line surface phonons in quasi-1D double helix crystal SnIP
title_full_unstemmed Degenerate topological line surface phonons in quasi-1D double helix crystal SnIP
title_short Degenerate topological line surface phonons in quasi-1D double helix crystal SnIP
title_sort degenerate topological line surface phonons in quasi 1d double helix crystal snip
url https://doi.org/10.1038/s41524-021-00667-6
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AT bartomeumonserrat degeneratetopologicallinesurfacephononsinquasi1ddoublehelixcrystalsnip
AT tiantianzhang degeneratetopologicallinesurfacephononsinquasi1ddoublehelixcrystalsnip