1302.3692 (Mikhail Smirnov et al.)

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

Mikhail Smirnov, Pierre Saint-Grégoire

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.

View original: http://arxiv.org/abs/1302.3692