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

cam.issuedOnline2021-12-03
dc.contributor.authorPeng, B
dc.contributor.authorMurakami, S
dc.contributor.authorMonserrat, B
dc.contributor.authorZhang, T
dc.contributor.orcidPeng, B [0000-0001-6406-663X]
dc.contributor.orcidMurakami, S [0000-0002-2033-9402]
dc.contributor.orcidZhang, T [0000-0002-2010-6721]
dc.date.accessioned2021-12-22T15:06:24Z
dc.date.available2021-12-22T15:06:24Z
dc.date.issued2021
dc.date.submitted2021-06-01
dc.date.updated2021-12-22T15:06:23Z
dc.description.abstract<jats:title>Abstract</jats:title><jats:p>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 <jats:inline-formula><jats:alternatives><jats:tex-math>$${{{\mathcal{T}}}}$$</jats:tex-math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>T</mml:mi> </mml:math></jats:alternatives></jats:inline-formula> and glide mirror symmetry <jats:inline-formula><jats:alternatives><jats:tex-math>$${\bar{M}}_{y}$$</jats:tex-math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mrow> <mml:mover> <mml:mrow> <mml:mi>M</mml:mi> </mml:mrow> <mml:mo>¯</mml:mo> </mml:mover> </mml:mrow> <mml:mrow> <mml:mi>y</mml:mi> </mml:mrow> </mml:msub> </mml:math></jats:alternatives></jats:inline-formula>. Our results indicate that surface degeneracies can be generically protected by symmetries such as <jats:inline-formula><jats:alternatives><jats:tex-math>$${{{\mathcal{T}}}}{\bar{M}}_{y}$$</jats:tex-math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>T</mml:mi> <mml:msub> <mml:mrow> <mml:mover> <mml:mrow> <mml:mi>M</mml:mi> </mml:mrow> <mml:mo>¯</mml:mo> </mml:mover> </mml:mrow> <mml:mrow> <mml:mi>y</mml:mi> </mml:mrow> </mml:msub> </mml:mrow> </mml:math></jats:alternatives></jats:inline-formula>, and phonons provide an ideal platform to explore such degeneracies.</jats:p>
dc.identifier.doi10.17863/CAM.79149
dc.identifier.eissn2057-3960
dc.identifier.issn2057-3960
dc.identifier.others41524-021-00667-6
dc.identifier.other667
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/331699
dc.languageen
dc.publisherSpringer Science and Business Media LLC
dc.publisher.urlhttp://dx.doi.org/10.1038/s41524-021-00667-6
dc.subject51 Physical Sciences
dc.subject5104 Condensed Matter Physics
dc.titleDegenerate topological line surface phonons in quasi-1D double helix crystal SnIP
dc.typeArticle
dcterms.dateAccepted2021-11-06
prism.issueIdentifier1
prism.publicationNamenpj Computational Materials
prism.volume7
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/P020259/1)
rioxxterms.licenseref.urihttp://creativecommons.org/licenses/by/4.0/
rioxxterms.versionVoR
rioxxterms.versionofrecord10.1038/s41524-021-00667-6
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