An innovative approach of structural instabilities in tetragonal tungsten bronze crystals through the concept of rigid unit modes

Tetragonal tungsten bronze (TTB) oxides are one of the most important classes of ferroelectrics. Many of these framework structures undergo ferroelastic transformations related to octahedron tilting deformations. Such tilting deformations are closely related to the Rigid Unit Modes (RUMs). This paper discusses the whole set of RUMs in an ideal TTB lattice and possible crystal structures which can emerge owing to the condensation of some of them. Analysis of available experimental data for the TTB-like niobates lends credence to the obtained theoretical predictions.

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Source https://hal.science/hal-00788615
Author Smirnov, Mikhail, Saint-Grégoire, Pierre
Maintainer CCSD
Last Updated May 13, 2026, 01:53 (UTC)
Created May 13, 2026, 01:53 (UTC)
Identifier hal-00788615
Language en
Rights https://about.hal.science/hal-authorisation-v1/
contributor Saint-Petersburg State University, Physical Department, Petrodvoretz, 194508 St.-Petersburg, Russia ; Physical Department (PD) ; St Petersburg State University (SPbU)-St Petersburg State University (SPbU)
creator Smirnov, Mikhail
date 2013-02-08T00:00:00
harvest_object_id 54bc32a0-8991-4c15-aafe-daa4b227df18
harvest_source_id 3374d638-d20b-4672-ba96-a23232d55657
harvest_source_title test moissonnage SELUNE
metadata_modified 2025-06-30T00:00:00
relation info:eu-repo/semantics/altIdentifier/arxiv/1302.3692
set_spec type:UNDEFINED