Interface control of ferroelectricity in LaNiO3-BaTiO3 superlattices

Yin-Zhong Wu; Hai-Shuang Lu; Tian-Yi Cai; Sheng Ju

doi:10.1063/1.4892610

Interface control of ferroelectricity in LaNiO3-BaTiO3 superlattices

Materials Science 2014-09-30 v1

Authors: Yin-Zhong Wu , Hai-Shuang Lu , Tian-Yi Cai , Sheng Ju

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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.

Keywords

ferroelectricity LaNiO3-BaTiO3 superlattices interface control density-functional theory polar discontinuity ultrathin films

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@article{arxiv.1409.7901,
  title  = {Interface control of ferroelectricity in LaNiO3-BaTiO3 superlattices},
  author = {Yin-Zhong Wu and Hai-Shuang Lu and Tian-Yi Cai and Sheng Ju},
  journal= {arXiv preprint arXiv:1409.7901},
  year   = {2014}
}

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14 pages, 6 figures

Interface control of ferroelectricity in LaNiO3-BaTiO3 superlattices

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