Selfconsistent Lattice-Dynamical Theory of Structural Phase Transitions in Perovskite-Type Crystals
✍ Scribed by B. Pietrass
- Publisher
- John Wiley and Sons
- Year
- 1972
- Tongue
- English
- Weight
- 457 KB
- Volume
- 53
- Category
- Article
- ISSN
- 0370-1972
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✦ Synopsis
Abstract
The temperature dependence of the soft mode frequency and of the displacement parameter, associated with the structural phase transition in perovskite‐type crystals, is calculated from anharmonic lattice dynamics in a selfconsistent way. The theory describes the change‐over from the Landau‐type behaviour to critical behaviour near the phase transition. For SrTiO~3~ and LaAlO~3~ good agreement is obtained with the experimental data of Müller and Berlinger.
📜 SIMILAR VOLUMES
## Abstract The structures of about 50 ionic crystals of cubic symmetry have been calculated in terms of a quantum‐statistical ab initio theory. In most cases agreement with experiment has been attained; in particular, the changes of the phases of alkali halides when the cation is replaced by a Cs