Spin-Orbit Integrated Ground State and Magnetic Anisotropy in Sr${}_2$IrO${}_4$

Abstract

We present a microscopic model for the anisotropic exchange interactions in Sr${}_2$IrO${}_4$. A direct construction of Wannier functions from first-principles calculations proves the $j_{\mathrm{eff}}$=1/2 character of the spin-orbit integrated states at the Fermi level. An effective $j_{\mathrm{eff}}$-spin Hamiltonian explains the observed weak ferromagnetism and anisotropy of antiferromagnetically ordered magnetic state, which arise naturally from the $j_{\mathrm{eff}}$=1/2 state with a rotation of IrO${}_6$ octahedra. It is suggested that Sr${}_2$IrO${}_4$ is a unique class of materials with effective exchange interactions in the spin-orbital Hilbert space.

5 pages, 3 figures

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• 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 $\infty$)
• Spin-Orbital Entanglement and Violation of the Goodenough-Kanamori Rules
• Electronic structures of layered perovskite Sr2MO4 (M=Ru, Rh, and Ir)

Cited by in corpus (73)

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• Semimetal and Topological Insulator in Perovskite Iridates
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• 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
• Anisotropic magnetoresistance in antiferromagnetic semiconductor Sr2IrO4 epitaxial heterostructure
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• Signature of high temperature superconductivity in electron doped Sr2IrO4
• Interplay between spin-orbit coupling and Hubbard interaction in SrIrO3 and related Pbnm perovskites
• Competing Exotic Topological Insulator Phases in Transition Metal Oxides on the Pyrochlore Lattice with Distortion
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• Square Lattice Iridates
• Magnetic couplings, optical spectra, and spin-orbit exciton in 5d electron Mott insulator Sr2IrO4
• Topological Quantum Phase Transition in 5$d$ Transition Metal Oxide Na${}_2$IrO${}_3$
• A structural distortion induced magneto-elastic locking in Sr${}_2$IrO${}_4$ revealed through nonlinear optical harmonic generation
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• Coulomb Correlations in 4d and 5d Oxides from First Principles - or How Spin-Orbit Materials choose their Effective Orbital Degeneracies
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• Measurement of the internal magnetic field in the correlated iridates Ca${}_4$IrO${}_6$, Ca${}_5$Ir${}_3$O${}_{12}$, Sr${}_3$Ir${}_2$O${}_7$ and Sr${}_2$IrO${}_4$
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• Theoretical study of insulating mechanism in multi-orbital Hubbard models with a large spin-orbit coupling: Slater versus Mott scenario in Sr${}_2$IrO${}_4$
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• Temperature evolution of magnetic and transport behavior in 5\textit{d} Mott insulator Sr${}_2$IrO${}_4$: Significance of magneto-structural coupling
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• Spin and Orbital Contributions to Magnetically Ordered Moments in 5d Layered Perovskite Sr2IrO4
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• Correlation effects and hidden spin-orbit entangled electronic order in parent and electron-doped iridates Sr${}_2$IrO${}_4$
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• Validity and limitations of the superexchange model for the magnetic properties of Sr2IrO4 and Ba2IrO4 mediated by the strong spin-orbit coupling
• Anisotropic softening of magnetic excitations in lightly electron doped Sr${}_2$IrO${}_4$
• Spectral functions of Sr${}_2$IrO${}_4$: theory versus experiment
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• Variational cluster approach to thermodynamic properties of interacting fermions at finite temperatures: A case study of the two-dimensional single-band Hubbard model at half filling
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• Spin-orbit coupling in the metallic and spin-liquid phases of Na4Ir3O8
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• Magnetic excitations in a three-orbital model for the strongly spin-orbit coupled iridates: Effect of mixing between the J=1/2 and 3/2 sectors
• Pseudogap and electronic structure of electron-doped Sr${}_2$IrO${}_4$
• Role of Square Planar Coordination in the Magnetic Properties of Na4IrO4
• Strong coupling theory of spin and orbital excitations in Sr2IrO4
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• First Principles Study of the Giant Magnetic Anisotropy Energy in Bulk Na4IrO4
• Odd-Parity Superconductivity Driven by Octahedra Rotations in Iridium Oxides
• Optical Signature of a Crossover from Mott- to Slater-type Gap in Sr${}_2$Ir${}_{1-x}$Rh${}_x$O${}_4$
• Two-dimensional Peierls instability via zone boundary Dirac line nodes in layered perovskite oxides
• Magnetic excitation in resonant inelastic x-ray scattering of Sr${}_2$IrO${}_4$: A localized spin picture
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• Microscopic Study of Electronic and Magnetic Properties for Ir Oxide
• Spin-orbital state induced by strong spin-orbit coupling
• Epitaxial stabilization of Sr3Ir2O7 thin films
• Evidence of Slater-type mechanism as origin of insulating state in Sr2IrO4
• Possible superconductivity induced by a large spin-orbit coupling in carrier doped iridium oxide insulators: A weak coupling approach
• Robust semi-Dirac points and unconventional topological phase transitions in doped superconducting Sr2IrO4 tunnel coupled to t2g electron systems
• Carrier dynamics in doped bilayer iridates near magnetic quantum criticality
• Momentum space imaging of locally noncentrosymmetric superconductors
• Spin and charge order in doped spin-orbit coupled Mott insulators
• Multipole correlations of $t_{2g}$-orbital Hubbard model with spin-orbit coupling
• The rich phase diagram of the prototypical iridate Ba${}_2$IrO${}_4$: Effective low-energy models and metal-insulator transition
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• Fermi surface and pseudogap in highly doped Sr${}_2$IrO${}_4$