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The site‐symmetry induced representations of layer groups on the Bilbao Crystallographic Server
Author(s) -
de la Flor Gemma,
Orobengoa Danel,
Evarestov Robert A.,
Kitaev Yuri E.,
Tasci Emre,
Aroyo Mois I.
Publication year - 2019
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576719011725
Subject(s) - symmetry (geometry) , layer (electronics) , aurivillius , crystallography , group (periodic table) , van der waals force , crystal (programming language) , crystal structure , section (typography) , materials science , condensed matter physics , physics , chemistry , geometry , computer science , molecule , nanotechnology , quantum mechanics , mathematics , dielectric , ferroelectricity , programming language , operating system
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 .