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Abstract: Using first-principles density functional calculations, we study theinterplay of ferroelectricity and polar discontinuities in a range of 1-1 oxidesuperlattices, built out of ferroelectric and paraelectric components. Studieshave been carried out for a varied choice of chemical composition of thecomponents. We find that, when polar interfaces are present, the polardiscontinuities induce off- centric movements in the ferroelectric layers, eventhough the ferroelectric is only one unit cell thick. The distortions yieldnon-switchable polarizations, with magnitudes comparable to those of thecorresponding bulk ferroelectrics. In contrast, in superlattices with no polardiscontinuity at the interfaces, the off-centric movements in the ferroelectriclayer are usually suppressed. The details of the behavior and functionalproperties are, however, found to be sensitive to epitaxial strain, rotationalinstabilities and second-order Jahn-Teller activity, and are therefore stronglyin uenced by the chemical composition of the paraelectric layer.



Autor: Hena Das, Nicola A. Spaldin, Umesh V. Waghmare, T. Saha-Dasgupta

Fuente: https://arxiv.org/







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