Two-dimensional polar metals in KNbO₃/BaTiO₃ superlattices: first-principle calculations.

ABSTRACT: Polar metals, commonly defined by the coexistence of polar structure and metallicity, are thought to be scarce because free carriers eliminate internal dipoles that may arise owing to asymmetric charge distributions. By using first-principle electronic structure calculations, we explored the possibility of producing metallic states in the polar/nonpolar KNbO₃/BaTiO₃ superlattice (SL) composed of two prototypical ferroelectric materials: BaTiO₃ (BTO) and KNbO₃ (KNO). Two types of polar/nonpolar interfaces, p-type (KO)^-/(TiO₂)⁰ and n-type (NbO₂)⁺/(BaO)⁰, which can be constituted into two symmetric NbO₂/BaO-NbO₂/BaO (NN-type) and KO/TiO₂-KO/TiO_2</

SUBMITTER: Li G 

PROVIDER: S-EPMC9074721 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature