Interface control of ferroelectricity in LaNiO3-BaTiO3 superlattices

Abstract

LaNiO${}_3$-BaTiO${}_3$ superlattices with different types of interfaces are studied from first-principles density-functional theory. It is revealed that the ferroelectricity in the superlattice with (NiO${}_2$)${}^{-}$/(BaO)${}^0$ interfaces is enhanced from that of the superlattice with (LaO)${}^{+}$/(TiO${}_2$)${}^0$ interfaces. The origin lies at the polar discontinuity at the interface, which makes the holes localized within the (NiO${}_2$)${}^{-}$/(BaO)${}^0$ interface, but drives a penetration of electrons into BaTiO${}_3$ component near (LaO)${}^{+}$/(TiO${}_2$)${}^0$ interface. Our calculations demonstrate an effective avenue to the robust ferroelectricity in BaTiO${}_3$ ultrathin films.

14 pages, 6 figures

References in corpus (4)

• Ferroelectricity in ultra-thin perovskite films
• Ferroelectric Instability under Screened Coulomb Interactions
• Ferroelectric Dead Layer Driven by a Polar Interface
• Fundamental asymmetry in interfacial electronic reconstruction between insulating oxides