The ferroelectric and cubic phases in BaTiO 3 ferroelectrics are also antiferroelectric
Volume: 103, Issue: 40, Pages: 14695 - 14700
Published: Oct 3, 2006
Abstract
Using quantum mechanics (QM, Density Functional Theory) we show that all four phases of barium titanate (BaTiO 3 ) have local Ti distortions toward 〈111〉 (an octahedral face). The stable rhombohedral phase has all distortions in phase (ferroelectric, FE), whereas higher temperature phases have antiferroelectric coupling (AFE) in one, two, or three dimensions (orthorhombic, tetragonal, cubic). This FE–AFE model from QM explains such puzzling...
Paper Details
Title
The ferroelectric and cubic phases in BaTiO 3 ferroelectrics are also antiferroelectric
Published Date
Oct 3, 2006
Volume
103
Issue
40
Pages
14695 - 14700
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