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- W2014997763 abstract "The Aurivillius family includes many compounds with ferroelectric phases. Despite sharing the basic perovskite structural block with more common ferroelectric oxides such as $mathrm{Ba}mathrm{Ti}{mathrm{O}}_{3}$ or $mathrm{Pb}mathrm{Ti}{mathrm{O}}_{3}$, their phase-transition behavior is rather more complex. In particular, $mathrm{Sr}{mathrm{Bi}}_{2}{mathrm{Ta}}_{2}{mathrm{O}}_{9}$ (SBT), one of the best-known members of the family, undergoes a series of transitions which cannot be analyzed within the conventional framework based on a single unstable polar mode. We present symmetry arguments and ab initio calculations which provide a new picture for the behavior of SBT, based on the interplay of several degrees of freedom, surprisingly not all of them associated to unstable or nearly-unstable modes. In fact, a hard, nonpolar secondary mode is seen as playing a fundamental role in the stabilization of the ferroelectric phase. Simple steric and empirical models illustrate these conclusions and help to understand family trends." @default.
- W2014997763 created "2016-06-24" @default.
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- W2014997763 date "2004-12-23" @default.
- W2014997763 modified "2023-10-06" @default.
- W2014997763 title "Competing structural instabilities in the ferroelectric Aurivillius compound<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi mathvariant=normal>Sr</mml:mi><mml:msub><mml:mi mathvariant=normal>Bi</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>Ta</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>9</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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- W2014997763 doi "https://doi.org/10.1103/physrevb.70.214111" @default.
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