Chemical bond in ferroelectric perovskites

The chemical bond in ferroelectric ABO 3 perovskites has been considered as a mixed ionic-covalent one. The effect of covalency on the structure has been analyzed using valence bond theory. A particular attention has been paid to the π bond formation and resulting distortion of the lattice. A role o...

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Published inFerroelectrics Vol. 237; no. 1; pp. 57 - 64
Main Authors Tkacz-Śmiech, Katarzyna, Koleżyński, A., Ptak, W. S.
Format Journal Article
LanguageEnglish
Published Taylor & Francis Group 01.01.2000
Subjects
atomic effective charge
octahedral hybridization
orbital overlapping
Perovskites
valence bond theory
σ and π chemical bond
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Summary:The chemical bond in ferroelectric ABO 3 perovskites has been considered as a mixed ionic-covalent one. The effect of covalency on the structure has been analyzed using valence bond theory. A particular attention has been paid to the π bond formation and resulting distortion of the lattice. A role of two ferroelectricity-driving parameters, ionic effective charges and oxygen octahedron volume, has been underlined in the light of overlapping of the orbitals forming (d←p)π bond. The phase transitions, which may occur in perovskite crystals, have been discussed from the point of view of electron charge localization.
Bibliography:SourceType-Scholarly Journals-2
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ISSN:0015-0193
1563-5112
DOI:10.1080/00150190008216232