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

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de la Flor G., Orobengoa D., Evarestov R. A., Kitaev Y. E., TAŞCI E., Aroyo M. I.

JOURNAL OF APPLIED CRYSTALLOGRAPHY, vol.52, pp.1214-1221, 2019 (SCI-Expanded, Scopus)

• Publication Type: Article / Article
• Volume: 52
• Publication Date: 2019
• Doi Number: 10.1107/s1600576719011725
• Journal Name: JOURNAL OF APPLIED CRYSTALLOGRAPHY
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.1214-1221
• Open Archive Collection: AVESIS Open Access Collection
• Hacettepe University Affiliated: Yes

Abstract

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 MoS2 and WS2.