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Interface control of ferroelectricity in LaNiO3
12. L. Shen, T. J. Zhou, Z. Q. Bai, M. G. Zeng, J. Q. Goh, Z. M. Yuan, G. H. Han, B. Liu, and Y. P. Feng, Phys. Rev. B 85, 064105 (2012).
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LaNiO3-BaTiO3 superlattices with different types of interfaces are studied from first-principles density-functional theory. It is revealed that the ferroelectricity in the superlattice with (NiO2)−/(BaO)0 interfaces is enhanced from that of the superlattice with (LaO)+/(TiO2)0 interfaces. The origin lies at the polar discontinuity at the interface, which makes the holes localized within the (NiO2)−/(BaO)0 interface, but drives a penetration of electrons into BaTiO3 component near (LaO)+/(TiO2)0 interface. Our calculations demonstrate an effective avenue to the robust ferroelectricity in BaTiO3 ultrathin films.
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