Polarization Enhancement in Short Period Superlattices via Interfacial Intermixing

Details Polarization Enhancement in Short Period Superlattices via Interfacial Intermixing Polarization Enhancement in Short Period Superlattices via Interfacial Intermixing

2007-05-31

arxiv.org/abs/0705.4684v3

PRB 76, 020103 (R) (2007)

Physics

Condensed Matter

Materials Science

4 pages, 6 figures

Scientific paper

10.1103/PhysRevB.76.020103

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.

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