Electronic structure of nickelates: From two-dimensional heterostructures to three-dimensional bulk materials

Abstract

Reduced dimensionality and strong electronic correlations, which are among the most important ingredients for cupratelike high-Tc superconductivity, characterize also the physics of nickelate-based heterostructures. Starting from the local-density approximation we arrive at a simple two-band model for quasi-two-dimensional 2D LaNiO3 /LaAlO3 heterostructures and extend it by introducing an appropriate hopping in the z direction to describe the dimensional crossover to three dimensions 3D. Using dynamical mean-field theory, we study the effects of electronic correlations with increasing interaction strength along the crossover from 2D to 3D. Qualitatively, the effects of electronic correlations are surprisingly similar, albeit quantitatively larger interaction strengths are required in three dimensions for getting a Mott-Hubbard insulating state. The exchange parameters of an effective Kugel-Khomskii-type spin-orbital model are also derived and reveal strong antiferromagnetic tendencies.

8 pages, 9 figures

References in corpus (11)

• Dynamical vertex approximation - a step beyond dynamical mean field theory
• Orbital order and possible superconductivity in LaNiO3/LaMO3 superlattices
• Orbital-Selective Mott transition out of band degeneracy lifting
• Orbital selective Mott transition in multi-band systems: slave-spin representation and dynamical mean-field theory
• Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3
• Pressure-induced metal-insulator transition in LaMnO3 is not of Mott-Hubbard type
• Dynamical behavior across the Mott transition of two bands with different bandwidths
• Orbital-selective Mott-Hubbard transition in the two-band Hubbard model
• Phonon Raman scattering of perovskite LaNiO3 thin films
• Effect of Crystal-Field Splitting and Inter-Band Hybridization on the Metal-Insulator Transitions of Strongly Correlated Systems
• Orbital-selective Mott Transitions in a Doped Two-band Hubbard Model

Cited by in corpus (38)

• Formation of 2D single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2
• Screened hybrid functional applied to 3d^0-->3d^8 transition-metal perovskites LaMO3 (M=Sc-Cu): influence of the exchange mixing parameter on the structural, electronic and magnetic properties
• Asymmetric orbital-lattice interactions in ultra-thin correlated oxide films
• Topotactic hydrogen in nickelate superconductors and akin infinite-layer oxides ABO2
• Lattice normal modes and electronic properties of the correlated metal LaNiO${}_3$
• Quantum confinement of Mott electrons in ultrathin LaNiO3/LaAlO3 superlattice
• Orbital control of noncollinear magnetic order in nickelate heterostructures
• Strain and composition dependence of the orbital polarization in nickelate superlattices
• Dynamical Mean Field Theory of Nickelate Superlattices
• Epitaxial growth and electronic structure of Ruddlesden-Popper nickelates (${\mathrm{La}}_{n+1}{\mathrm{Ni}}_n{\mathrm{O}}_{3n+1},n=1-5$)
• Confinement-induced metal-to-insulator transition in strained LaNiO${}_3$/LaAlO${}_3$ superlattices
• Phase diagram of nickelate superconductors calculated by dynamical vertex approximation
• Orbital Polarization in Strained LaNiO${}_3$: Structural Distortions and Correlation Effects
• Importance of d-p Coulomb interaction for high T${}_C$ cuprates and other oxides
• Ordering and multiple phase transitions in ultra-thin nickelate superlattices
• Latent Instabilities in Metallic LaNiO3 Films by Strain Control of Fermi-Surface Topology
• Effective crystal field and Fermi surface topology: a comparison of d- and dp-orbital models
• Metal-insulator transition and orbital reconstruction in Mott quantum wells of NdNiO${}_3$
• Ruddlesden-Popper faults in LaNiO3/LaAlO3 superlattices
• Octahedral Engineering of Orbital Polarizations in Charge Transfer Oxides
• Two-site fluctuations and multipolar superexchange interactions in strongly correlated systems
• Improved Description of Perovskite Oxide Crystal Structure and Electronic Properties using Self-Consistent Hubbard $U$ Corrections from ACBN0
• Magnetic properties and pseudogap formation in infinite-layer nickelates: insights from the single-band Hubbard model
• Anomalous electron transport in epitaxial NdNiO${}_3$ films
• Towards ab initio calculations with the dynamical vertex approximation
• Dimensionality-tuned electronic structure of nickelate superlattices explored by soft-x-ray angle resolved photoelectron spectroscopy
• Influence of quantum confinement and strain on orbital polarization of four-layer LaNiO${}_3$ superlattices: a DFT+DMFT study
• Topotactic-hydrogen forms chains in $AB$O${}_2$ nickelate superconductors
• Signatures of topotactic hydrogen in nickelate superconductors
• Closing in on possible scenarios for infinite-layer nickelates: comparison of dynamical mean-field theory with angular-resolved photoemission spectroscopy
• Finite-temperature phase diagram of (111) nickelate bilayers
• Physics behind the minimum of relative entropy measures for correlations
• A comparative DMFT study of the eg-orbital Hubbard model in thin films
• Hard x-ray photoemission study on strain effect in LaNiO${}_3$ thin films
• Heteroanionic Stabilization of Ni${}^{1+}$ with Nonplanar Coordination in Layered Nickelates
• Single-particle spectra and magnetic susceptibility in the Emery model: a dynamical mean-field perspective
• Layer controlled orbital selective Mott transition in monolayer nickelate
• Long-term memory magnetic correlations in the Hubbard model: A dynamical mean-field theory analysis