Polarization Enhancement in Short Period Superlattices via Interfacial Intermixing

Abstract

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.

4 pages, 6 figures

References in corpus (6)

• Unusual behaviour of the ferroelectric polarization in PbTiO${}_3$/SrTiO${}_3$ superlattices
• First-principles study of symmetry lowering in relaxed BaTiO3/SrTiO3 superlattices
• Polarization enhancement in two- and three-component ferroelectric superlattices
• Epitaxially strained [001]-(PbTiO${}_3$)${}_1$(PbZrO${}_3$)${}_1$ superlattice and PbTiO${}_3$ from first principles
• Wannier-based definition of layer polarizations in perovskite superlattices
• Short-circuit boundary conditions in ferroelectric PbTiO${}_3$ thin films

Cited by in corpus (6)

• Interplay of couplings between antiferrodistortive, ferroelectric, and strain degrees of freedom in monodomain PbTiO${}_3$/SrTiO${}_3$ superlattices
• Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices
• Oxygen vacancy formation energies in PbTiO${}_3$/SrTiO${}_3$ superlattice
• Interface control of ferroelectricity in LaNiO3-BaTiO3 superlattices
• Cation ordering induced polarization enhancement for $PbTi{O}_3$-$SrTi{O}_3$ ferroelectric-dielectric superlattices
• Chemical control of polymorphism and ferroelectricity in PbTiO3 and SrTiO3 monolayers and bilayers