Lattice dynamics, lattice instabilities and phase transitions in fluoride perovskites

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Published under licence by IOP Publishing Ltd
, , Citation N Lehner et al 1982 J. Phys. C: Solid State Phys. 15 6545 DOI 10.1088/0022-3719/15/32/015

This article is corrected by 1983 J. Phys. C: Solid State Phys. 16 3215

0022-3719/15/32/6545

Abstract

The authors have measured the phonon dispersion curves of the fluoride perovskite materials KMnF3 and KZnF3 by means of coherent neutron inelastic scattering. The aim of this investigation was to provide the phonon spectrum of KMnF3 which undergoes structural phase transitions and which has been studied by various methods in the last decade and, for comparison, of KZnF3 in which no phase transitions occur. In addition they have found an anomalous temperature dependence of the R15' and M2 modes in KZnF3 which are the modes that soften near the phase transitions of KMnF3. This indicates that there is in general a tendency towards an instability against octahedra rotations in all fluoride perovskites. For the analysis of the phonon spectra, they have employed a lattice dynamical shell model under various conditions. In some of the models, they have successfully used interionic potentials which were derived from experimental data in other materials for some of the short-range interactions. Thus it could be shown that these potentials are also valid in the fluoride perovskites with different interionic distances. Furthermore, the experimental data are compared with the results of infrared spectroscopy and Raman studies at low temperatures as a test of the assignment of optically determined phonon frequencies to normal modes which are at the zone centre Gamma at low temperatures and at zone-boundary points in the cubic perovskite structure.

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