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Ferroelectrics Volume 55, 1984 - Issue 1
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Original Articles

Cubic to tetragonal phase change and covalency effects in BaTiO3 and KNbO3 from band structures

L. Castet-mejean Laboratoire de Physique Electronique, Bǎtiment, 203 43 Bd du 11 Novembre 1918 69622 Villeurbanne Cedex, FRANCE
&
F. M. Michel-calendini Laboratoire de Physique Electronique, Bǎtiment, 203 43 Bd du 11 Novembre 1918 69622 Villeurbanne Cedex, FRANCE
Pages 11-14 | Published online: 08 Feb 2011
 
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Abstract

The evolution, from the paraelectric to the ferroelectric phase, of the total and partial densities of states determined from tight-binding band structures for KNbO3 and BaTiO3, is analysed and connected with the orbital interactions

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