Electronic Structure and Magnetic Properties of Iridate Superlattice SrIrO${}_3$/SrTiO${}_3$

Abstract

Motivated by an experimental report of iridate superlattices, we performed first-principle electronic structure calculations for SrIrO${}_3$/SrTiO${}_3$. Heterostructuring causes SrIrO${}_3$ to become Sr${}_2$IrO${}_4$-like, and the system has the well-defined $j_{\mathrm{eff}}$=1/2 states near the Fermi level as well as canted antiferromagnetic order within the quasi-two-dimensional IrO${}_2$ plane. In response to a larger tensile strain, the band gap is increased due to the resulting increase in bond length and the bandwidth reduction. The ground state magnetic properties are discussed in comparison to the metastable collinear antiferromagnetic state. Our work sheds new light for understanding the recent experimental results on the iridate heterostructures.

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• Pressure-Induced Confined Metal from the Mott Insulator Sr3Ir2O7
• Synthesis and electronic properties of Ruddlesden-Popper strontium iridate epitaxial thin films stabilized by control of growth kinetics
• Growth and engineering of perovskite SrIrO3 thin films
• Novel spin-orbit coupling driven emergent states in iridate-based heterostructures
• Decoupling carrier concentration and electron-phonon coupling in oxide heterostructures observed with resonant inelastic x-ray scattering
• 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
• Exploring the structural , electronic and magnetic properties of cation ordered 3d-5d double perovskite Bi${}_2$FeReO${}_6$ and Bi${}_2$FeIrO${}_6$ thin-films from first-principles
• Strain-dependent Insulating State and Kondo Effect in Epitaxial SrIrO${}_3$ Films