Corridors between adjacent sites model of the four phases of KNbO#73

Static and dynamic simulations of KNbO#73 with interacting polarizable ions support a model to describe phase transitions. Nb ions avoid their avg positions in the cubic and tetragonal phases, hopping through virtual orthorhombic phase sites between virtual rhombohedral phase sites. This description...

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Bibliographic Details
Published in:Physical review letters 1989-01, Vol.63 (1), p.55-58
Main Author: Edwardson, P J
Format: Article
Language:English
Online Access:Get full text
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Summary:Static and dynamic simulations of KNbO#73 with interacting polarizable ions support a model to describe phase transitions. Nb ions avoid their avg positions in the cubic and tetragonal phases, hopping through virtual orthorhombic phase sites between virtual rhombohedral phase sites. This description reveals why the o#1#8#!#2t#1 transition fits well into the displacive model of phase transitions, while the two higher temp. transitions exhibit displacive and order-disorder characteristics.
ISSN:0031-9007