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- W2058241168 abstract "We present a finite-temperature study of ferroelectric phase transitions in ${mathrm{BaTiO}}_{3}$ ultrathin films using an atomic-level simulation approach. This is based on a shell model for ${mathrm{BaTiO}}_{3}$ with parameters obtained from first-principles calculations. While transitions involving in-plane electric polarization are practically unperturbed by the presence of the surface, surface atomic relaxations act as a strong perturbation on the ferroelectric order perpendicular to the surface. However, a strain induced ferroelectric polydomain phase with an out-of-plane orientation of polarization is stabilized in a not short-circuited film as thin as 20 AA{}. A reduction of the out-of-plane polarization at the film surface is observed." @default.
- W2058241168 created "2016-06-24" @default.
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- W2058241168 date "2001-11-08" @default.
- W2058241168 modified "2023-09-26" @default.
- W2058241168 title "Surface effects and ferroelectric phase transitions in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>BaTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>ultrathin films" @default.
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- W2058241168 doi "https://doi.org/10.1103/physrevb.64.235403" @default.
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