On the electronic ground state of two non-magnetic pentavalent honeycomb iridates

Abstract

We investigate the electronic structure of two Ir${}^{5+}$ honeycomb iridates, Sr${}_3$CaIr${}_2$O${}_9$ and NaIrO${}_3$, by means of resonant x-ray techniques. We confirm that Sr${}_3$CaIr${}_2$O${}_9$ realizes a large spin-orbit driven non-magnetic $J=0$ singlet ground state despite sizable tetragonal distortions of Ir coordinating octahedra. On the other hand, the resonant inelastic x-ray spectra of NaIrO${}_3$ are drastically different from expectations for a Mott insulator with octahedrally coordinated Ir${}^{5+}$. We find that the data for NaIrO${}_3$ can be best interpreted as originating from a narrow gap non-magnetic $S=0$ band insulating ground state. Our results highlight the complex role of the ligand environment in the electronic structure of honeycomb iridates and the essential role of x-ray spectroscopy to characterize electronic ground states of insulating materials.

References in corpus (40)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• 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
• Spin-Orbit Physics Giving Rise to Novel Phases in Correlated Systems: Iridates and Related Materials
• Exotic phases induced by strong spin-orbit coupling in ordered double perovskites
• Excitonic Magnetism in Van Vleck-type d^4 Mott Insulators
• Crystal field splitting and correlation effect on the electronic structure of A2IrO3
• Spin-Orbit Coupling in Iridium-Based 5d Compounds Probed by X-ray Absorption Spectroscopy
• Ferromagnetism in the Mott insulator Ba2NaOsO6
• The Challenge of Spin-Orbit-Tuned Ground States in Iridates
• Possible Kitaev Quantum Spin Liquid State in 2D Materials with S=3/2
• Novel magnetism of Ir5+ ions in the double perovskite Sr2YIrO6
• Novel magnetic state in $d^4$ Mott insulators
• NaIrO3 - A pentavalent post-perovskite
• Emergent $\mathrm{SU}(4)$ Symmetry in $\alpha$-ZrCl${}_3$ and Crystalline Spin-Orbital Liquids
• Spin-orbital liquid state assisted by singlet-triplet excitation in $J=0$ ground state of Ba${}_3$ZnIr${}_2$O${}_9$
• Determination of Hund's coupling in 5d Oxides using Resonant Inelastic X-ray Scattering
• Topological states in pyrochlore iridates: long-range anisotropy strongly competing with spin-orbit interaction
• Resonant X-ray scattering and the $j_{\mathrm{eff}}=1/2$ electronic ground state in iridate perovskites
• Resonant Inelastic X-ray Scattering on Spin-Orbit Coupled Insulating Iridates
• Effective magnetic interactions in spin-orbit coupled $d^4$ Mott insulators
• On the possibility of excitonic magnetism in Ir double perovskites
• Origin of magnetic moments and presence of a resonating valence bond state in Ba${}_2$YIrO${}_6$
• EDRIXS: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering
• Doping-Induced Ferromagnetism and Possible Triplet Pairing in d4 Mott Insulators
• New Honeycomb Iridium (V) Oxides: NaIrO${}_3$ and Sr${}_3$CaIr${}_2$O${}_9$
• SU(4)-symmetric spin-orbital liquids on the hyperhoneycomb lattice
• Hopping induced ground-state magnetism in 6H perovskite iridates
• Momentum selectivity and anisotropy effects in the nitrogen K-edge resonant inelastic X-ray scattering from GaN
• The electronic structure of NaIrO${}_3$, Mott insulator or band insulator?
• Nearly itinerant electronic groundstate in the intercalated honeycomb iridate Ag${}_3$LiIr${}_2$O${}_6$
• Excitonic Magnetism at the intersection of Spin-orbit coupling and crystal-field splitting
• High-pressure insulator-to-metal transition in Sr${}_3$Ir${}_2$O${}_7$ studied by x-ray absorption spectroscopy
• Spin-orbit effects in pentavalent Iridates: Models and materials
• Structural evolution and electronic properties of (Sr1-xCax)2-yIrO4+z spin-orbit assisted insulators
• Orbital Frustration and Emergent Flat Bands
• Role of disorder in the electronic and magnetic properties of Ag${}_3$LiIr${}_2$O${}_6$
• The ground state in a proximity to a possible Kitaev spin liquid: An undistorted honeycomb iridate NaxIrO3 (0.60 < x < 0.80)

Cited by in corpus (2)

• Momentum-independent magnetic excitation continuum in the honeycomb iridate H${}_3$LiIr${}_2$O${}_6$
• Quasimolecular electronic structure of the trimer iridate Ba${}_4$NbIr${}_3$O${}_{12}$