The magnetic and crystal structures of Sr2IrO4: A neutron diffraction study

Abstract

We report a single-crystal neutron diffraction study of the layered $\mathrm{S}{\mathrm{r}}_2\mathrm{Ir}{\mathrm{O}}_4$. This work unambiguously determines the magnetic structure of the system and reveals that the spin orientation rigidly tracks the staggered rotation of the $\mathrm{Ir}{\mathrm{O}}_6$ octahedra in $\mathrm{S}{\mathrm{r}}_2\mathrm{Ir}{\mathrm{O}}_4$. The long-range antiferromagnetic order has a canted spin configuration with an ordered moment of 0.208(3) ${\mu }_B$/Ir site within the basal plane; a detailed examination of the spin canting yields 0.202(3) and 0.049(2) ${\mu }_B$/site for the a axis and the b axis, respectively. It is intriguing that forbidden nuclear reflections of space group $I{4}_1/acd$ are also observed in a wide temperature range from 4 K to 600 K, which suggests a reduced crystal structure symmetry. This neutron-scattering work provides a direct, well-refined experimental characterization of the magnetic and crystal structures that are crucial to the understanding of the unconventional magnetism exhibited in this unusual magnetic insulator.

the version appeared in PRB

References in corpus (18)

• Electronic Structure of Pyrochlore Iridates: From Topological Dirac Metal to Mott Insulator
• 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
• Relevance of the Heisenberg-Kitaev model for the honeycomb lattice iridates A_2IrO_3
• Spin-Liquid State in the S = 1/2 Hyperkagome Antiferromagnet Na4Ir3O8
• Twisted Hubbard Model for Sr2IrO4: Magnetism and Possible High Temperature Superconductivity
• Quantum spin Hall effect in a transition metal oxide Na2IrO3
• Direct evidence of a zigzag spin chain structure in the honeycomb lattice: A neutron and x-ray diffraction investigation on single crystal $\mathrm{N}{\mathrm{a}}_2\mathrm{Ir}{\mathrm{O}}_3$
• Spin-Orbit Coupling in Iridium-Based 5d Compounds Probed by X-ray Absorption Spectroscopy
• Lattice-Driven Magnetoresistivity and Metal-Insulator Transition in Single-Layered Iridates
• Two-dimensional Heisenberg behavior of Jeff = 1/2 isospins in the paramagnetic state of spin-orbital Mott insulator Sr2IrO4
• Doping a spin-orbit Mott Insulator: Topological Superconductivity from the Kitaev-Heisenberg Model and possible application to (Na2/Li2)IrO3
• Spin-orbit tuned metal-insulator transitions in single-crystal Sr2Ir1-xRhxO4 (0\leqx\leq1)
• Neutron scattering study of correlated phase behavior in Sr2IrO4
• Na4Ir3O8 as a 3D spin liquid with fermionic spinons
• Topological Quantum Phase Transition in 5$d$ Transition Metal Oxide Na${}_2$IrO${}_3$
• Antiferromagnetic order and domains in Sr3Ir2O7 probed by x-ray resonant scattering
• Magnetic structural change of Sr2IrO4 upon Mn doping

Cited by in corpus (124)

• Colloquium: Topological Band Theory
• Spin-Orbit Physics Giving Rise to Novel Phases in Correlated Systems: Iridates and Related Materials
• Hyper-honeycomb iridate $\beta$-Li2IrO3 as a platform for Kitaev magnetism
• Spin-wave excitations evidencing the Kitaev interaction in single crystalline $\alpha$-RuCl${}_3$
• Evidence of an odd-parity hidden order in a spin-orbit coupled correlated iridate
• The Challenge of Spin-Orbit-Tuned Ground States in Iridates
• Novel magnetism of Ir5+ ions in the double perovskite Sr2YIrO6
• Odd-parity triplet superconductivity in multi-orbital materials with strong spin-orbit coupling: applications to doped Sr2IrO4
• The influence of electron-doping on the ground state of (Sr{1-x}La{x})2IrO4
• Slaving of the magnetic moment canting to the correlated oxygen rotation in Sr2IrO4 revealed by X-ray resonant scattering
• Square Lattice Iridates
• A structural distortion induced magneto-elastic locking in Sr${}_2$IrO${}_4$ revealed through nonlinear optical harmonic generation
• Dilute Magnetism and Spin-Orbital Percolation Effects in Rh-doped Sr2IrO4
• Pseudo Jahn-Teller Effect and Magnetoelastic Coupling in Spin-Orbit Mott Insulators
• Giant anisotropic magnetoresistance and nonvolatile memory in canted antiferromagnet Sr2IrO4
• Orbital reconstruction in nonpolar tetravalent transition-metal oxide layers
• No observation of chiral flux current in the topological kagome metal CsV${}_3$Sb${}_5$
• Time-reversal symmetry breaking hidden order in Sr${}_2$(Ir,Rh)O${}_4$
• Transfer of spectral weight across the gap of Sr2IrO4 induced by La doping
• Pseudospin-lattice coupling in the spin-orbit Mott insulator Sr2IrO4
• Tuning Jeff = 1/2 Insulating State via Electron Doping and Pressure in Double-Layered Iridate Sr3Ir2O7
• Relativistic $GW$+BSE study of the optical properties of Ruddlesden-Popper iridates
• Frozen State and Spin Liquid Physics in Na4Ir3O8: an NMR study
• Anisotropic magnetoresistance in antiferromagnetic Sr2IrO4
• Structure symmetry determination and magnetic evolution in $\mathrm{S}{\mathrm{r}}_2\mathrm{I}{\mathrm{r}}_{1-\mathrm{x}}\mathrm{R}{\mathrm{h}}_{\mathrm{x}}{\mathrm{O}}_4$
• Decoupling of the Antiferromagnetic and Insulating States in Tb doped Sr2IrO4
• The importance of XY anisotropy in Sr2IrO4 revealed by magnetic critical scattering experiments
• Review of Spin Orbit Coupled Semimetal SrIrO3 in thin film form
• Temperature evolution of magnetic and transport behavior in 5\textit{d} Mott insulator Sr${}_2$IrO${}_4$: Significance of magneto-structural coupling
• Electrical Control of Structural and Physical Properties via Strong Spin-Orbit Interactions in Sr2IrO4
• Revealing Controllable Anisotropic Magnetoresistance in Spin Orbit Coupled Antiferromagnet Sr2IrO4
• Isotropic and Anisotropic Regimes of the Field-Dependent Spin Dynamics in Sr2IrO4: Raman Scattering Studies
• Structural investigation of the bilayer iridate Sr3Ir2O7
• Evolution of competing magnetic order in the Jeff=1/2 insulating state of Sr2Ir1-xRuxO4
• Unidirectional spin density wave state in metallic (Sr1-xLax)2IrO4
• Anisotropic exchange and spin-wave damping in pure and electron-doped Sr${}_2$IrO${}_4$
• The Jeff=1/2 antiferromagnet Sr2IrO4: A golden avenue toward new physics and functions
• Doping Evolution of Magnetic Order and Magnetic Excitations in (Sr${}_{1-x}$La${}_x$)${}_3$Ir${}_2$O${}_7$
• From Jeff=1/2 insulator to p-wave superconductor in single-crystal Sr2Ir1-xRuxO4 (0 < x< 1)
• Validity and limitations of the superexchange model for the magnetic properties of Sr2IrO4 and Ba2IrO4 mediated by the strong spin-orbit coupling
• Correlation effects and hidden spin-orbit entangled electronic order in parent and electron-doped iridates Sr${}_2$IrO${}_4$
• First-Principles Calculation of Spin and Orbital Contributions to Magnetically Ordered Moments in Sr${}_2$IrO${}_4$
• A Low Temperature Nonlinear Optical Rotational Anisotropy Spectrometer for the Determination of Crystallographic and Electronic Symmetries
• Soft antiphase tilt of oxygen octahedra in the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7
• Effect of Cu${}^{2+}$ substitution in Spin-Orbit Coupled Sr${}_2$Ir${}_{1-x}$Cu${}_x$O${}_4$: Structure, magnetism and electronic properties
• Persistent Insulator: Avoidance of Metallization at Megabar Pressures in Strongly Spin-Orbit-Coupled Sr2IrO4
• Antiferromagnet-based spintronic functionality by controlling isospin domains in a layered perovskite iridate
• Spectral functions of Sr${}_2$IrO${}_4$: theory versus experiment
• Atomic-scale fragmentation and collapse of antiferromagnetic order in a doped Mott insulator
• Dual gate control of bulk transport and magnetism in the spin-orbit insulator Sr2IrO4
• Jeff=1/2 Mott spin-orbit insulating state close to the cubic limit in Ca4IrO6
• The magnetic ground state of Sr2IrO4 and implications for second-harmonic generation
• First-order structural transition and pressure-induced lattice/phonon anomalies in Sr${}_2$IrO${}_4$
• Possible quantum paramagnetism in compressed Sr${}_2$IrO${}_4$
• Quantum spin nematic phase in a square-lattice iridate
• Cluster Toroidal Multipoles Formed by Electric-Quadrupole and Magnetic-Octupole Trimers: A Possible Scenario for Hidden Orders in Ca${}_5$Ir${}_3$O${}_{12}$
• Spin-orbit-enhanced magnetic surface second-harmonic generation in Sr${}_2$IrO${}_4$
• Formation of an incoherent metallic state in Rh-doped Sr${}_2$IrO${}_4$
• Bond Directional Anapole Order in a Spin-Orbit Coupled Mott Insulator Sr${}_2$(Ir${}_{1-x}$Rh${}_x$)O${}_4$
• Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4 and Na2IrO3: Density functional, perturbation theory and Madelung potential analyses
• Spin-gap and two-dimensional magnetic excitations in Sr2IrO4
• Comparative study of DFT+$U$ functionals for non-collinear magnetism
• Fermi arcs, pseudogap and collective excitations in doped Sr2IrO4: A generalized fluctuation exchange study
• Insulating phase in Sr${}_2$IrO${}_4$: An investigation using critical analysis and magnetocaloric effect
• Evidence for ordered magnetic moments at oxygen sites in antiferromagnetic Sr${}_2$IrO${}_4$ and Sr${}_3$Ir${}_2$O${}_7$
• BaOsO${}_3$: A Hund's metal in the presence of strong spin-orbit coupling
• Magnetization density distribution of Sr${}_2$IrO${}_4$: Deviation from a local $j_{\text{eff}}=1/2$ picture
• Structural evolution and electronic properties of (Sr1-xCax)2-yIrO4+z spin-orbit assisted insulators
• Anapole Correlations in Sr2IrO4 Defy the jeff = 1/2 Model
• High-energy electronic excitations in Sr${}_2$IrO${}_4$ observed by Raman scattering
• Flexomagnetoelectric effect in Sr2IrO4 thin films
• Sr${}_2$IrO${}_4$/Sr${}_3$Ir${}_2$O${}_7$ superlattice for a model 2D quantum Heisenberg antiferromagnet
• Odd-Parity Superconductivity Driven by Octahedra Rotations in Iridium Oxides
• Magnetic critical properties and basal-plane anisotropy of Sr${}_2$IrO${}_4$
• Persistent large anisotropic magnetoresistance and insulator to metal transition in spin-orbit coupled antiferromagnets Sr2(Ir1-xGax)O4
• Optical Signature of a Crossover from Mott- to Slater-type Gap in Sr${}_2$Ir${}_{1-x}$Rh${}_x$O${}_4$
• Non-collinear vs collinear description of the Ir-based one-$t_{2g}$ -hole perovskite-related compounds: SrIrO${}_3$ and Sr${}_2$IrO${}_4$
• Pseudospin-lattice coupling and electric control of the square-lattice iridate Sr2IrO4
• Pseudospin heat conductivity in the $J_{\mathrm{eff}}=1/2$ antiferromagnet Sr${}_2$IrO${}_4$
• Unusual slow magnetic fluctuations and critical slowing down in Sr${}_2$Ir${}_{1-x}$Rh${}_x$O${}_4$
• Interplay between Hund's coupling and spin-orbit interaction on elementary excitations in Sr2IrO4
• Crystal structure and physical properties of the Sr-vacant spin-orbit-coupling induced Mott insulator Sr2-xIrO4
• Magnetic excitation in resonant inelastic x-ray scattering of Sr${}_2$IrO${}_4$: A localized spin picture
• Controllable emergent spatial spin modulation in Sr2IrO4 by in situ shear strain
• Towards Electrical-Current Control of Quantum States in Spin-Orbit-Coupled Matter
• Two-dimensional Peierls instability via zone boundary Dirac line nodes in layered perovskite oxides
• Evolution of Magnetism in Single-Crystal Ca2Ru1-xIrxO4 (0< x <0.65)
• Nonsymmorphic Dirac semimetal and carrier dynamics in doped spin-orbit-coupled Mott insulator Sr${}_2$IrO${}_4$
• Study of Nontrivial Magnetism in 3$d$-5$d$ Transition Metal based Double Perovskites
• Compass Impurity Model of Tb Substitution in Sr2IrO4
• Direct observation of oxygen polarization in Sr${}_2$IrO${}_4$ by O $K$-edge x-ray magnetic circular dichroism
• Insight into the magnetic behavior of Sr${}_2$IrO${}_4$:A spontaneous magnetization study
• Momentum-resolved lattice dynamics of parent and electron-doped Sr${}_2$IrO${}_4$
• Magnetism and electrical transport in Y-doped layered iridate Sr${}_2$IrO${}_4$
• Decoupling of magnetism and electric transport in single-crystal (Sr1-xAx)2IrO4 (A = Ca or Ba)
• Anisotropic antiferromagnetic order in spin-orbit coupled trigonal lattice Ca2Sr2IrO6
• Doping driven structural distortion in the bilayer iridate (Sr${}_{1-x}$La${}_x$)${}_3$Ir${}_2$O${}_7$
• Hallmarks of the Mott-Metal Crossover in the Hole Doped J=1/2 Mott insulator Sr2IrO4
• Anisotropic Lattice Compression and Pressure-Induced Electronic Phase Transitions in Sr${}_2$IrO${}_4$
• Emergent interlayer magnetic order via strain-induced orthorhombic distortion in the 5d Mott insulator Sr2IrO4
• Single crystal growth of iridates without platinum impurities
• 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 order, disorder, and excitations under pressure in the Mott insulator Sr${}_2$IrO${}_4$
• Modeling multiorbital effects in Sr2IrO4 under strain and a Zeeman field
• Electronic and optical properties of La-doped Sr${}_3$Ir${}_2$O${}_7$ epitaxial thin-films
• Electrochemical Oxygen Intercalation into Sr${}_2$IrO${}_4$
• Tuning the structural, electronic and magneto-transport properties of spin-orbit Mott insulator Sr2IrO4
• Reconciling monolayer and bilayer $J_{\mathrm{eff}}=1/2$ square lattices in hybrid oxide superlattice
• Evidence of Slater-type mechanism as origin of insulating state in Sr2IrO4
• Evolution of electronic structure of Ru-doped single-crystal iridiates, Sr${}_2$Ir${}_{1-x}$Ru${}_x$O${}_4$
• Epitaxial growth and antiferromagnetism of Sn-substituted perovskite iridate SrIr${}_{0.8}$Sn${}_{0.2}$O${}_3$
• Anisotropy of Antiferromagnetic Domains in a Spin-orbit Mott Insulator
• Spin and charge order in doped spin-orbit coupled Mott insulators
• Quantum Criticality in a Layered Iridate
• Microscopic and Spectroscopic Evidence for a Slater Metal-Insulator Transition in Sr2IrO4
• Structural origin of the Jeff=1/2 antiferromagnetic phase in Ga-doped Sr2IrO4
• Three-dimensional Stacking of Canted Antiferromagnetism and Pseudospin Current in Undoped Sr${}_2$IrO${}_4$: Symmetry Analysis and Microscopic Model Realization
• High-pressure floating zone crystal growth of Sr${}_2$IrO${}_4$
• Microscopic model realization of $\mathbf{d}$-wave pseudospin current order in Sr${}_2$IrO${}_4$
• Absence of temperature-dependent phonon anomalies in Sr2IrO4 and Sr3Ir2O7
• Fermi surface and pseudogap in highly doped Sr${}_2$IrO${}_4$
• Emerging axion detection in artificial magnetoelectric materials
• Spatio-temporal migration of antiferromagnetic domain walls in Sr2IrO4
• Mixed-pairing superconductivity in 5d Mott insulators with antisymmetric exchange