Polarization enhancement in short period superlattices via interfacial intermixing

Cooper, V.R. and Johnston, K. and Rabe, K.M. (2007) Polarization enhancement in short period superlattices via interfacial intermixing. Physical Review B: Condensed Matter and Materials Physics, 76 (2). ISSN 1098-0121

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Abstract

The effect of intermixing at the interface of short period PbTiO3 SrTiO3 superlattices is studied using first-principles density functional theory. The results indicate that interfacial intermixing significantly enhances the polarization within the superlattice. This enhancement is directly related to the off-centering of Pb and Sr cations and can be explained through a discussion of interacting dipoles. This picture should be general for a wide range of multicomponent superlattices and may have important consequences for the design of ferroelectric devices.