Substrate-tuning of correlated spin-orbit oxides

Abstract

We have systematically investigated substrate-strain effects on the electronic structures of two representative Sr-iridates, a correlated-insulator Sr${}_2$IrO${}_4$ and a metal SrIrO${}_3$. Optical conductivities obtained by the \emph{ab initio} electronic structure calculations reveal that the tensile strain shifts the optical peak positions to higher energy side with altered intensities, suggesting the enhancement of the electronic correlation and spin-orbit coupling (SOC) strength in Sr-iridates. The response of the electronic structure upon tensile strain is found to be highly correlated with the direction of magnetic moment, the octahedral connectivity, and the SOC strength, which cooperatively determine the robustness of $J_{eff}$=1/2 ground states. Optical responses are analyzed also with microscopic model calculation and compared with corresponding experiments. In the case of SrIrO${}_3$, the evolution of the electronic structure near the Fermi level shows high tunability of hole bands, as suggested by previous experiments.

References in corpus (12)

• 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
• 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 $\infty$)
• Interplay of Spin-Orbit Interactions, Dimensionality, and Octahedral Rotations in Semimetallic SrIrO${}_3$
• Robustness of basal-plane antiferromagnetic order and the $J_{eff}=1/2$ state in single-layer iridate spin-orbit Mott insulators
• Magnetic couplings, optical spectra, and spin-orbit exciton in 5d electron Mott insulator Sr2IrO4
• Compressive strain-induced metal-insulator transition in orthorhombic SrIrO3 thin films
• Tunable Semimetallic State in Compressive-strained SrIrO3 Films Revealed by Transport Behaviors
• Ab initio determination of excitation energies and magnetic couplings in correlated, quasi two-dimensional iridates
• Surface States of Perovskite Iridates AIrO${}_3$; Signatures of Topological Crystalline Metal with Nontrivial ${\mathbb{Z}}_2$ Index
• Spin-orbit coupling, strong correlation, and insulator-metal transitions: the J${}_{\mathrm{eff}}$ =3\2 ferromagnetic Mott insulator Ba${}_2$NaOsO${}_6$
• Analysis of the optical conductivity for A2IrO3 (A = Na, Li) from first principles

Cited by in corpus (12)

• Relativistic $GW$+BSE study of the optical properties of Ruddlesden-Popper iridates
• Review of Spin Orbit Coupled Semimetal SrIrO3 in thin film form
• Dimensionality-strain phase diagram of strontium iridates
• Growth and engineering of perovskite SrIrO3 thin films
• The Jeff=1/2 antiferromagnet Sr2IrO4: A golden avenue toward new physics and functions
• Magnetic properties of bilayer Sr${}_3$Ir${}_2$O${}_7$: role of epitaxial strain and oxygen vacancies
• Electronic structure and optical properties of Sr${}_2$IrO${}_4$ under epitaxial strain
• Optical Signatures of Spin-Orbit Exciton in Bandwidth Controlled Sr${}_2$IrO${}_4$ Epitaxial Films via High-Concentration Ca and Ba Doping
• Pseudospin-lattice coupling and electric control of the square-lattice iridate Sr2IrO4
• 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
• Modeling multiorbital effects in Sr2IrO4 under strain and a Zeeman field
• Hidden structural transition in epitaxial Ca${}_{0.5}$Sr${}_{0.5}$IrO${}_3$/SrTiO${}_3$ thin film