Polarization Enhancement in Short Period Superlattices via Interfacial Intermixing

The effect of intermixing at the interface of short period PbTiO$_3$/SrTiO$_3$ 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.