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.

arXiv comment14 pages, 6 figures

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