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Acta Crystallographica Section A: Foundations and AdvancesVolume 78, 1 March 2022, Pages 107-114

Irreducible and site-symmetry-induced representations of single/double ordinary/grey layer groups(Article)(Open Access)

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  • aNanoLab, Faculty of Physics, University of Belgrade, Studentski trg 12, Belgrade, Serbia
  • bSerbian Academy of Sciences and Arts, Kneza Mihaila Street 35, Belgrade, Serbia

Abstract

Considered are 80 sets of layer groups, each set consisting of four groups: ordinary single and double, and grey single and double layer groups. The structural properties of layer groups (factorization into cyclic subgroups and the existence of grading according to the sequence of halving subgroups) enable efficient symbolic computation (by the POLSym code) of the relevant properties, real and complex irreducible and allowed (half-)integer (co-)representations in particular. This task includes, as the first step, classification of the irreducible domains based on the group action in the Brillouin zone combined with torus topology. Also, the band (co-)representations induced from the irreducible (co-)representations of Wyckoff-position stabilizers (site-symmetry groups) are decomposed into the irreducible components. These, and other layer group symmetry related theoretical data relevant for physics, layered materials in particular, are tabulated and made available through the web site https://nanolab.group/layer/. © 2022 International Union of Crystallography. All rights reserved.

Author keywords

Brillouinzone topologyComputer algebraCrystallographic databaseGroup theoryLayer groups

Funding details

Funding sponsor Funding number Acronym
Ministarstvo Prosvete, Nauke i Tehnološkog Razvoja451-03-9/2021-14/200162MPNTR
Serbian Academy of Sciences and Arts93SASA
  • 1

    Funding for this research was provided by: Ministry of Education, Science and Technological Development of Republic of Serbia (project No. 451-03-9/2021-14/200162, SASA grant No. 93).

  • ISSN: 20532733
  • CODEN: ACACE
  • Source Type: Journal
  • Original language: English
  • DOI: 10.1107/S205327332101322X
  • PubMed ID: 35230266
  • Document Type: Article
  • Publisher: International Union of Crystallography

  Milošević, I.; NanoLab, Faculty of Physics, University of Belgrade, Studentski trg 12, Belgrade, Serbia;
© Copyright 2022 Elsevier B.V., All rights reserved.

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