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Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server

The section of the Bilbao Crystallographic Server (https://www.cryst.ehu.es/) dedicated to subperiodic groups contains crystallographic and Brillouin-zone databases for the layer groups. The crystallographic databases include the generators/general positions (GENPOS), Wyckoff positions (WYCKPOS) and...

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Autores principales: de la Flor, Gemma, Souvignier, Bernd, Madariaga, Gotzon, Aroyo, Mois I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8573847/
https://www.ncbi.nlm.nih.gov/pubmed/34726633
http://dx.doi.org/10.1107/S205327332100783X
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author de la Flor, Gemma
Souvignier, Bernd
Madariaga, Gotzon
Aroyo, Mois I.
author_facet de la Flor, Gemma
Souvignier, Bernd
Madariaga, Gotzon
Aroyo, Mois I.
author_sort de la Flor, Gemma
collection PubMed
description The section of the Bilbao Crystallographic Server (https://www.cryst.ehu.es/) dedicated to subperiodic groups contains crystallographic and Brillouin-zone databases for the layer groups. The crystallographic databases include the generators/general positions (GENPOS), Wyckoff positions (WYCKPOS) and maximal subgroups (MAXSUB). The Brillouin-zone database (LKVEC) offers k-vector tables and Brillouin-zone figures of all 80 layer groups which form the background of the classification of their irreducible representations. The symmetry properties of the wavevectors are described applying the so-called reciprocal-space-group approach and this classification scheme is compared with that of Litvin & Wike [(1991), Character Tables and Compatibility Relations of the Eighty Layer Groups and Seventeen Plane Groups. New York: Plenum Press]. The specification of independent parameter ranges of k vectors in the representation domains of the Brillouin zones provides a solution to the problems of uniqueness and completeness of layer-group representations. The Brillouin-zone figures and k-vector tables are described in detail and illustrated by several examples.
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spelling pubmed-85738472021-11-12 Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server de la Flor, Gemma Souvignier, Bernd Madariaga, Gotzon Aroyo, Mois I. Acta Crystallogr A Found Adv Research Papers The section of the Bilbao Crystallographic Server (https://www.cryst.ehu.es/) dedicated to subperiodic groups contains crystallographic and Brillouin-zone databases for the layer groups. The crystallographic databases include the generators/general positions (GENPOS), Wyckoff positions (WYCKPOS) and maximal subgroups (MAXSUB). The Brillouin-zone database (LKVEC) offers k-vector tables and Brillouin-zone figures of all 80 layer groups which form the background of the classification of their irreducible representations. The symmetry properties of the wavevectors are described applying the so-called reciprocal-space-group approach and this classification scheme is compared with that of Litvin & Wike [(1991), Character Tables and Compatibility Relations of the Eighty Layer Groups and Seventeen Plane Groups. New York: Plenum Press]. The specification of independent parameter ranges of k vectors in the representation domains of the Brillouin zones provides a solution to the problems of uniqueness and completeness of layer-group representations. The Brillouin-zone figures and k-vector tables are described in detail and illustrated by several examples. International Union of Crystallography 2021-09-24 /pmc/articles/PMC8573847/ /pubmed/34726633 http://dx.doi.org/10.1107/S205327332100783X Text en © Gemma de la Flor et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
de la Flor, Gemma
Souvignier, Bernd
Madariaga, Gotzon
Aroyo, Mois I.
Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server
title Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server
title_full Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server
title_fullStr Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server
title_full_unstemmed Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server
title_short Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server
title_sort layer groups: brillouin-zone and crystallographic databases on the bilbao crystallographic server
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8573847/
https://www.ncbi.nlm.nih.gov/pubmed/34726633
http://dx.doi.org/10.1107/S205327332100783X
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