Dimensionality-strain phase diagram of strontium iridates

Abstract

The competition between spin-orbit coupling, bandwidth ($W$) and electron-electron interaction ($U$) makes iridates highly susceptible to small external perturbations, which can trigger the onset of novel types of electronic and magnetic states. Here we employ {\em first principles} calculations based on density functional theory and on the constrained random phase approximation to study how dimensionality and strain affect the strength of $U$ and $W$ in (SrIrO${}_3$)${}_m$/(SrTiO${}_3$) superlattices. The result is a phase diagram explaining two different types of controllable magnetic and electronic transitions, spin-flop and insulator-to-metal, connected with the disruption of the $J_{eff}=1/2$ state which cannnot be understood within a simplified local picture.

References in corpus (36)

• Maximally-localized generalized Wannier functions for composite energy bands
• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
• Novel Jeff = 1/2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr2IrO4
• Correlated quantum phenomena in the strong spin-orbit regime
• Bandwidth-Controlled Insulator-Metal Transition and Correlated Metallic State in 5$d$ Transition Metal Oxides Sr${}_{n+1}$Ir${}_n$O${}_{3n+1}$ ($n$=1, 2, and $\infty$)
• Fermi Arcs in a Doped Pseudospin-1/2 Heisenberg Antiferromagnet
• Observation of a $d$-wave gap in electron-doped Sr${}_2$IrO${}_4$
• Semimetal and Topological Insulator in Perovskite Iridates
• Monte Carlo study of an unconventional superconducting phase in Ir-oxide J_{eff}=1/2 Mott insulators induced by carrier doping
• Engineering spin-orbital magnetic insulator by tailoring superlattices
• Microscopic study of spin-orbit-induced Mott insulator in Ir oxides
• Reduced effective spin-orbital degeneracy and spin-orbital ordering in paramagnetic transition metal oxides: Sr2IrO4 vs. Sr2RhO4
• Collapse of the Mott gap and emergence of a nodal liquid in lightly doped Sr${}_2$IrO${}_4$
• Effective J=1/2 insulating state in Ruddlesden-Popper iridates: An LDA+DMFT study
• Maximally localized Wannier functions in LaMnO3 within PBE+U, hybrid functionals, and partially self-consistent GW: an efficient route to construct ab-initio tight-binding parameters for e_g perovskites
• Metal insulator transitions in perovskite SrIrO3 thin films
• Interplay between spin-orbit coupling and Hubbard interaction in SrIrO3 and related Pbnm perovskites
• Dimensionality Driven Spin-Flop Transition in Layered Iridates
• Tuning electronic structures via epitaxial strain in Sr2IrO4 thin films
• Anisotropic Magnetic Couplings and Structure-Driven Canted to Collinear Transitions in Spin-orbit Coupled Sr2IrO4
• Strain-induced nonsymmorphic symmetry breaking and removal of Dirac semimetallic nodal line in an orthoperovskite iridate
• Epitaxy-distorted spin-orbit Mott insulator in Sr2IrO4 thin films
• Orbital reconstruction in nonpolar tetravalent transition-metal oxide layers
• Tuning Magnetic Coupling in Sr${}_2$IrO${}_4$ Thin Films with Epitaxial Strain
• Theory of magnetism and metal-insulator transition in layered perovskite iridates
• Spectroscopic evidence for polaronic behaviour of the strong spin-orbit insulator Sr${}_3$Ir${}_2$O${}_7$
• Crystal growth and intrinsic magnetic behavior of Sr${}_2$IrO${}_4$
• Pressure-Induced Confined Metal from the Mott Insulator Sr3Ir2O7
• Electron and hole doping in the relativistic Mott insulator Sr${}_2$IrO${}_4$: a first-principles study using band unfolding technique
• Spin-orbit-induced exotic insulators in a three-orbital Hubbard model with $(t_{2g}{)}^5$ electrons
• Substrate-tuning of correlated spin-orbit oxides
• Three-dimensional electronic structures and the metal-insulator transition in Ruddlesden-Popper iridates
• Magnetic properties of bilayer Sr${}_3$Ir${}_2$O${}_7$: role of epitaxial strain and oxygen vacancies
• Non-collinear vs collinear description of the Ir-based one-$t_{2g}$ -hole perovskite-related compounds: SrIrO${}_3$ and Sr${}_2$IrO${}_4$
• Low-Energy Model and Electron-Hole Doping Asymmetry of Single-Layer Ruddlesden-Popper Iridates

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• Balanced electron-hole transport in spin-orbit semimetal SrIrO3 heterostructures
• Novel spin-orbit coupling driven emergent states in iridate-based heterostructures
• Strain-induced tuning of the electronic Coulomb interaction in 3d transition metal oxide perovskites
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• Correlated Quantum Phenomena of Spin-Orbit Coupled Perovskite Oxide Heterostructures: Cases of SrRuO3 and SrIrO3-Based Artificial Superlattices
• Strain-modulated Slater-Mott crossover of pseudospin-half square-lattice in (SrIrO3)1/ (SrTiO3)1 superlattices
• Osmates on the verge of a Hund's-Mott transition: The different fates of NaOsO${}_3$ and LiOsO${}_3$
• Electronic structure and optical properties of Sr${}_2$IrO${}_4$ under epitaxial strain
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• Isostructural Metal-Insulator Transition Driven by Dimensional-Crossover in SrIrO3 Heterostructures
• Octahedral tilting induced isospin reorientation transition in iridate heterostructures
• Doping-induced insulator-metal transition in the Lifshitz magnetic insulator NaOsO3
• Electron-phonon mediated superconductivity in La${}_6$Ni${}_5$O${}_{12}$ nickel oxides
• Exploration of trivial and non-trivial electronic phases and of collinear and non-collinear magnetic phases in low-spin d${}^5$ perovskites
• Precise control of $J_{\mathrm{eff}}=1/2$ magnetic properties in Sr${}_2$IrO${}_4$ epitaxial thin films by variation of strain and thin film thickness
• Magnetic interlayer coupling between ferromagnetic SrRuO${}_3$ layers through a SrIrO${}_3$ spacer
• Reconciling monolayer and bilayer $J_{\mathrm{eff}}=1/2$ square lattices in hybrid oxide superlattice
• Electron doping in ${\text{Sr}}_3{\text{Ir}}_2{\text{O}}_7$: collapse of band gap and magnetic order
• Structural origin of the Jeff=1/2 antiferromagnetic phase in Ga-doped Sr2IrO4
• Magnetism in artificial Ruddlesden-Popper iridates leveraged by structural distortions
• Elastic stripes formation at electronic transitions