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


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

JOURNAL OF APPLIED CRYSTALLOGRAPHY, cilt.52, ss.1214-1221, 2019 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 52
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1107/s1600576719011725
  • Dergi Adı: JOURNAL OF APPLIED CRYSTALLOGRAPHY
  • Sayfa Sayıları: ss.1214-1221

Özet

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.