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

Gemma de la Flor, Danel Orobengoa, Robert A. Evarestov, Yuri E. Kitaev, Emre Tasci, Mois I. Aroyo
2019 Journal of Applied Crystallography  
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
more » ... s of phonon symmetry in Aurivillius compounds and in van der Waals layered crystals MoS2 and WS2.
doi:10.1107/s1600576719011725 pmid:31636523 pmcid:PMC6782082 fatcat:hndp3x4ycfalfgb6srwo6svotm