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  Band connectivity for topological quantum chemistry: Band structures as a graph theory problem

Bradlyn, B., Elcoro, L., Vergniory, M. G., Cano, J., Wang, Z., Felser, C., et al. (2018). Band connectivity for topological quantum chemistry: Band structures as a graph theory problem. Physical Review B, 97(3): 035138, pp. 1-17. doi:10.1103/PhysRevB.97.035138.

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 Creators:
Bradlyn, Barry1, Author
Elcoro, L.1, Author
Vergniory, M. G.1, Author
Cano, Jennifer1, Author
Wang, Zhijun1, Author
Felser, C.2, Author           
Aroyo, M. I.1, Author
Bernevig, B. Andrei1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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 Abstract: The conventional theory of solids is well suited to describing band structures locally near isolated points in momentum space, but struggles to capture the full, global picture necessary for understanding topological phenomena. In part of a recent paper [B. Bradlyn et al., Nature (London) 547, 298 (2017)], we have introduced the way to overcome this difficulty by formulating the problem of sewing together many disconnected local k.p band structures across the Brillouin zone in terms of graph theory. In this paper, we give the details of our full theoretical construction. We show that crystal symmetries strongly constrain the allowed connectivities of energy bands, and we employ graph theoretic techniques such as graph connectivity to enumerate all the solutions to these constraints. The tools of graph theory allow us to identify disconnected groups of bands in these solutions, and so identify topologically distinct insulating phases.

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Language(s): eng - English
 Dates: 2018-01-162018-01-16
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1103/PhysRevB.97.035138
 Degree: -

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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 97 (3) Sequence Number: 035138 Start / End Page: 1 - 17 Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008