The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server

The section of the Bilbao Crystallographic Server (http://www.cryst.ehu.es) dedicated to subperiodic groups includes a new tool called LSITESYM for the study of materials with layer and multilayer symmetry. This new program, based on the site-symmetry approach, establishes the symmetry relations bet...

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Detalles Bibliográficos
Autores principales: de la Flor, Gemma, Orobengoa, Danel, Evarestov, Robert A., Kitaev, Yuri E., Tasci, Emre, Aroyo, Mois I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6782082/
https://www.ncbi.nlm.nih.gov/pubmed/31636523
http://dx.doi.org/10.1107/S1600576719011725
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author de la Flor, Gemma
Orobengoa, Danel
Evarestov, Robert A.
Kitaev, Yuri E.
Tasci, Emre
Aroyo, Mois I.
author_facet de la Flor, Gemma
Orobengoa, Danel
Evarestov, Robert A.
Kitaev, Yuri E.
Tasci, Emre
Aroyo, Mois I.
author_sort de la Flor, Gemma
collection PubMed
description The section of the Bilbao Crystallographic Server (http://www.cryst.ehu.es) dedicated to subperiodic groups includes a new tool called LSITESYM for the study of materials with layer and multilayer symmetry. This new program, based on the site-symmetry approach, establishes the symmetry relations between localized and extended crystal states using representations of layer groups. The efficiency and utility of the program LSITESYM is demonstrated by illustrative examples, which include the analysis of phonon symmetry in Aurivillius compounds and in van der Waals layered crystals MoS(2) and WS(2).
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spelling pubmed-67820822019-10-21 The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server de la Flor, Gemma Orobengoa, Danel Evarestov, Robert A. Kitaev, Yuri E. Tasci, Emre Aroyo, Mois I. J Appl Crystallogr Research Papers The section of the Bilbao Crystallographic Server (http://www.cryst.ehu.es) dedicated to subperiodic groups includes a new tool called LSITESYM for the study of materials with layer and multilayer symmetry. This new program, based on the site-symmetry approach, establishes the symmetry relations between localized and extended crystal states using representations of layer groups. The efficiency and utility of the program LSITESYM is demonstrated by illustrative examples, which include the analysis of phonon symmetry in Aurivillius compounds and in van der Waals layered crystals MoS(2) and WS(2). International Union of Crystallography 2019-10-04 /pmc/articles/PMC6782082/ /pubmed/31636523 http://dx.doi.org/10.1107/S1600576719011725 Text en © Gemma de la Flor et al. 2019 http://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.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Papers
de la Flor, Gemma
Orobengoa, Danel
Evarestov, Robert A.
Kitaev, Yuri E.
Tasci, Emre
Aroyo, Mois I.
The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server
title The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server
title_full The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server
title_fullStr The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server
title_full_unstemmed The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server
title_short The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server
title_sort site-symmetry induced representations of layer groups on the bilbao crystallographic server
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6782082/
https://www.ncbi.nlm.nih.gov/pubmed/31636523
http://dx.doi.org/10.1107/S1600576719011725
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