Ordering and multiple phase transitions in ultra-thin nickelate superlattices

Abstract

We interpret via advanced ab initio calculations the multiple phase transitions observed recently in ultra-thin LaNiO${}_3$/LaAlO${}_3$ superlattices. The ground state is insulating, charge-ordered, and antiferromagnetic due to concurrent structural distortion and weak valency disproportionation. We infer distinct transitions at 40 K and 150 K, respectively, from antiferromagnetic order to moment disorder, and from structurally-dimerized insulator to an undistorted metallic Pauli paramagnet (exhibiting a cuprate-like Fermi surface). The results are in satisfactory agreement with experiment.

~4 pages, 4 figures; further improvement during review

References in corpus (2)

• Orbital order and possible superconductivity in LaNiO3/LaMO3 superlattices
• Confinement-induced metal-to-insulator transition in strained LaNiO${}_3$/LaAlO${}_3$ superlattices

Cited by in corpus (7)

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• Tunable Charge and Spin Order in PrNiO${}_3$ Thin Films and Superlattices
• Confinement-driven transitions between topological and Mott phases in (LaNiO3)${}_N$/(LaAlO3)${}_M$(111) superlattices
• Complex magnetic order in nickelate slabs
• Design of $n$- and $p$-type oxide thermoelectrics in LaNiO${}_3$/SrTiO${}_3(001)$ superlattices exploiting interface polarity
• Epitaxially strained ultrathin LaNiO${}_3$/LaAlO${}_3$ and LaNiO${}_3$/SrTiO${}_3$ superlattices: a density functional theory + $U$ study
• Multi-gap absorption in CaCu${}_3$Ti${}_4$O${}_{12}$ and the predictivity of ab initio methods