Modifying the Electronic Orbitals of Nickelate Heterostructures Via Structural Distortions

Abstract

We describe a general materials design approach that produces large orbital energy splittings (orbital polarization) in nickelate heterostructures, creating a two-dimensional single-band electronic surface at the Fermi energy. The resulting electronic structure mimics that of the high temperature cuprate superconductors. The two key ingredients are: (i) the construction of atomic-scale distortions about the Ni site via charge transfer and internal electric fields, and (ii) the use of three component (tri-component) superlattices to break inversion symmetry. We use {\it ab initio} calculations to implement the approach, with experimental verification of the critical structural motif that enables the design to succeed.

12 pages, 3 figures and 1 table

References in corpus (6)

• Orbital order and possible superconductivity in LaNiO3/LaMO3 superlattices
• Site-selective Mott transition in rare earth nickelates
• Fermi surfaces, electron-hole asymmetry and correlation kink in a three-dimensional Fermi liquid LaNiO${}_3$
• Chemical control of orbital polarization in artificially structured transition-metal oxides: La2NiXO6 (X=B, Al, Ga, In) from first principles
• Confinement-induced metal-to-insulator transition in strained LaNiO${}_3$/LaAlO${}_3$ superlattices
• Onset of metallic behavior in strained (LaNiO3)n/(SrMnO3)2 superlattices

Cited by in corpus (31)

• Physics of ultrathin films and heterostructures of rare earth nickelates
• Bond disproportionation and dynamical charge fluctuations in the perovskite rare earth nickelates
• A substantial hybridization between correlated Ni-d orbital and itinerant electrons in infinite-layer nickelates
• Strain and composition dependence of the orbital polarization in nickelate superlattices
• Engineered Mott ground state in LaTiO${}_{3+\delta }$/LaNiO${}_3$ heterostructure
• Nature of the metal-insulator transition in few-unit-cell-thick LaNiO3 films
• Interplay of octahedral rotations and breathing distortions in charge ordering perovskite oxides
• Charge transfer driven emergent phenomena in oxide heterostructures
• Engineering Correlation Effects via Artificially Designed Oxide Superlattices
• Similarities and differences between nickelate and cuprate films grown on a SrTiO${}_3$ substrate
• Orbital Polarization in Strained LaNiO${}_3$: Structural Distortions and Correlation Effects
• Latent Instabilities in Metallic LaNiO3 Films by Strain Control of Fermi-Surface Topology
• High-density electron doping of SmNiO${}_3$ from first principles
• Orbital engineering in nickelate heterostructures driven by anisotropic oxygen hybridization rather than orbital energy levels
• Structural Distortions At Polar Manganite Interfaces
• Experimental verification of orbital engineering at the atomic scale: charge transfer and symmetry breaking in nickelate heterostructures
• Antisite defects at oxide interfaces
• Control of hidden ground-state order in NdNiO${}_3$ superlattices
• Influence of quantum confinement and strain on orbital polarization of four-layer LaNiO${}_3$ superlattices: a DFT+DMFT study
• Resolving the nature of electronic excitations in resonant inelastic x-ray scattering
• Orbital ordering in the layered perovskite material CsVF${}_4$
• Cation Order Control of Correlations in Double Perovskite Sr${}_2$VNbO${}_6$
• A laser-ARPES study of LaNiO3 thin films grown by sputter deposition
• Origin of the orbital polarization of Co${}^{2+}$ in La${}_2$CoTiO${}_6$ and (LaCoO${}_3$)${}_1$+(LaTiO${}_3$)${}_1$ : a DFT+$U$ and DMFT study
• PERSPECTIVE: Emergent phases in rare earth nickelate heterostructures
• Lateral modulation of magnetic anisotropy in tricolor 3d-5d oxide superlattices
• Magnetism of (LaCoO${}_3$)${}_n$+(LaTiO${}_3$)${}_n$ superlattices with $n=1,2$
• Energy Landscape analysis of metal-insulator transitions: theory and application to Ca${}_2$RuO${}_4$, $R$NiO${}_3$ and their heterostructures
• Heteroanionic Stabilization of Ni${}^{1+}$ with Nonplanar Coordination in Layered Nickelates
• Ferroelectric Control of Metal-Insulator Transition
• Layer controlled orbital selective Mott transition in monolayer nickelate