Using Group Theory to Relate and Compare Structures.

6^th May 2022, 14:00
Emre S. Tasci
Hacettepe University, Turkey

Abstract

Application of group theory in crystallography and solid state physics brings powerful impositions that drastically limit the possible outcomes or intermediate pathways to manageable potential cases. The talk will begin by a brief introduction of group theory and symmetry, along with symmetry related concepts such as symmetry operators, site symmetries, Wyckoff positions, group settings, group-subgroup relations and will continue on how to relate given structures along with quantitative means of comparison. The presentation will employ tools served by the Bilbao Crystallographic Server (BCS) [https://www.cryst.ehu.es/] such as WYCKPOS, SUBGROUPGRAPH, MINSUP, WYCKSPLIT, PSEUDO, COMPSTRU and STRUCTURE RELATIONS, all of which are freely available at BCS.