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Ferroelectrics Volume 37, 1981 - Issue 1

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Original Articles

Cubic to tetragonal phase-transition effects in BaTiO₃ from tight-binding and Xα electronic structures

L. Castet-Mejean Laboratoire de Physique Electronique, Université LYON I, 43, boulevard du 11 Novembre 1918, Villeurbanne - Cédex, 69622, FRANCE

F. M. Michel-Calendini Laboratoire de Physique Electronique, Université LYON I, 43, boulevard du 11 Novembre 1918, Villeurbanne - Cédex, 69622, FRANCE

Pages 503-506 | Published online: 07 Feb 2011

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https://doi.org/10.1080/00150198108223467

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Abstract

Electronic structures and related properties of tetragonal BaTiO₃ have been compared by using two different theoretical approaches, the crystal band structure and the cluster model. The induced anisotropy from the cubic to the tetragonal phase is discussed.

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