Modes vs. modulations: Symmetry-mode analysis of commensurate modulated structures compared with the superspace method
Year: 2010
Type: conference-paper
Abstract: We know from Landau theory that the natural language to deal with distorted structures is the one of symmetry-adapted modes. A symmetry-mode decomposition is both useful for investigating the mechanisms responsible of these phases and for pure crystallographic purposes. Some symmetry-mode components are usually dominant, introducing a parameter hierarchy or reducing in practice the crystallographic degrees of freedom. Several computer tools are now freely available allowing structure refinements directly using symmetry-mode collective coordinates. Alternatively, the superspace formalism is a very efficient method for similar purposes. By means of several examples we compare the two approaches.
Authors: J M Perez-Mato, D Orobengoa, M I Aroyo, L Elcoro
Institution: University of the Basque Country
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W2016928070