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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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Bradlyn, Barry1, Autor
Elcoro, L.1, Autor
Vergniory, M. G.1, Autor
Cano, Jennifer1, Autor
Wang, Zhijun1, Autor
Felser, C.2, Autor           
Aroyo, M. I.1, Autor
Bernevig, B. Andrei1, Autor
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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 Zusammenfassung: 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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Sprache(n): eng - English
 Datum: 2018-01-162018-01-16
 Publikationsstatus: Erschienen
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 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: -
 Identifikatoren: DOI: 10.1103/PhysRevB.97.035138
 Art des Abschluß: -

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Titel: Physical Review B
  Kurztitel : Phys. Rev. B
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Woodbury, NY : American Physical Society
Seiten: - Band / Heft: 97 (3) Artikelnummer: 035138 Start- / Endseite: 1 - 17 Identifikator: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008