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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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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. |
format | Online Article Text |
id | pubmed-8573847 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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