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
Descripción
Sumario: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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