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  Double crystallographic groups and their representations on the Bilbao Crystallographic Server

Elcoro, L., Bradlyn, B., Wang, Z., Vergniory, M., Cano, J., Felser, C., et al. (2017). Double crystallographic groups and their representations on the Bilbao Crystallographic Server. Journal of Applied Crystallography, 50, 1457-1477.

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Datensatz-Permalink: https://hdl.handle.net/21.11116/0000-000E-D366-1 Versions-Permalink: https://hdl.handle.net/21.11116/0000-000E-D367-0
Genre: Zeitschriftenartikel

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 Urheber:
Elcoro, L., Autor
Bradlyn, B., Autor
Wang, Z., Autor
Vergniory, M.1, Autor
Cano, J., Autor
Felser, C., Autor
Bernevig, B., Autor
Orobengoa, D., Autor
de la Flor, G., Autor
Aroyo, M., Autor
Affiliations:
1Max Planck Society, ou_persistent13              

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Schlagwörter: double crystallographic groups; single-valued and double-valued irreducible representations; band representations; Bilbao Crystallographic Server; computer programs
 Zusammenfassung: A new section of databases and programs devoted to double crystallographic groups (point and space groups) has been implemented in the Bilbao Crystallographic Server (http://www.cryst.ehu.es). The double crystallographic groups are required in the study of physical systems whose Hamiltonian includes spin-dependent terms. In the symmetry analysis of such systems, instead of the irreducible representations of the space groups, it is necessary to consider the single- and double-valued irreducible representations of the double space groups. The new section includes databases of symmetry operations (DGENPOS) and of irreducible representations of the double (point and space) groups (REPRESENTATIONS DPG and REPRESENTATIONS DSG). The tool DCOMPREL provides compatibility relations between the irreducible representations of double space groups at different k vectors of the Brillouin zone when there is a group-subgroup relation between the corresponding little groups. The program DSITESYM implements the so-called site-symmetry approach, which establishes symmetry relations between localized and extended crystal states, using representations of the double groups. As an application of this approach, the program BANDREP calculates the band representations and the elementary band representations induced from any Wyckoff position of any of the 230 double space groups, giving information about the properties of these bands. Recently, the results of BANDREP have been extensively applied in the description of and the search for topological insulators.

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Sprache(n): eng - English
 Datum: 2017
 Publikationsstatus: Erschienen
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: eDoc: 735067
ISI: 000412088300021
 Art des Abschluß: -

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Titel: Journal of Applied Crystallography
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: CHESTER : INT UNION CRYSTALLOGRAPHY
Seiten: 5 Band / Heft: 50 Artikelnummer: - Start- / Endseite: 1457 - 1477 Identifikator: ISSN: 1600-5767