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.

arXiv comment~4 pages, 4 figures; further improvement during review

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Cited by in corpus (23)

• Physics of ultrathin films and heterostructures of rare earth nickelates
• Charge disproportionation without charge transfer in the rare-earth nickelates as a possible mechanism for the metal-insulator transition
• Orbital control of noncollinear magnetic order in nickelate heterostructures
• Tunable Charge and Spin Order in PrNiO${}_3$ Thin Films and Superlattices
• Theory of the magnetic and metal-insulator transitions in RNiO3 bulk and layered structures
• 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
• Doping-induced dimensional crossover and thermopower burst in Nb-doped SrTiO${}_3$ superlattices
• Charge transfer, confinement, and ferromagnetism in LaMnO${}_3$/LaNiO${}_3$ (001)-superlattice
• Confinement- and strain-induced enhancement of thermoelectric properties in LaNiO${}_3$/LaAlO${}_3(001)$ superlattices
• Large band offset as driving force of 2-dimensional electron confinement: the case of SrTiO${}_3$/SrZrO${}_3$ interface
• Inducing $n$- and $p$-type thermoelectricity in oxide superlattices by strain tuning of orbital-selective transport resonances
• Charge doping and large lattice expansion in oxygen-deficient heteroepitaxial WO3
• Epitaxial strain modulated electronic properties of interface controlled nickelate superlattice
• Oxygen vacancy formation and electronic reconstruction in strained LaNiO${}_3$ and LaNiO${}_3$/LaAlO${}_3$ superlattices
• Large phonon-drag enhancement induced by narrow quantum confinement at the LaAlO3/SrTiO3 interface
• Effect of charge doping on the electronic structure, orbital polarization, and structural distortion in nickelate superlattice
• Effect of the electron-lattice coupling on the charge and magnetic order in rare-earth nickelates
• Effects of reduced dimensionality, crystal field, electron-lattice coupling, and strain on the ground-state of a rare-earth nickelates monolayer
• 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
• Vanadium-doped HfO${}_2$, multiferroic uncompromised