Coulomb Correlations in 4d and 5d Oxides from First Principles - or How Spin-Orbit Materials choose their Effective Orbital Degeneracies

Abstract

The interplay of spin-orbit interactions and Coulomb correlations has become a hot topic in condensed matter theory. Here, we review recent advances in dynamical mean-field theory-based electronic structure calculations for iridates and rhodates. We stress the notion of the effective degeneracy of the compounds, which introduces an additional axis into the conventional picture of a phase diagram based on filling and on the ratio of interactions to bandwidth.

arXiv comment45 pages, 9 figures in Ψ_k Scientific Highlight Of The Month 132 (Novembre 2016)

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Cited by in corpus (34)

• Orbital effects in solids: basics, recent progress and opportunities
• Thermoelectricity in correlated narrow-gap semiconductors
• Multiple Dirac Cones and Topological Magnetism in Honeycomb-Monolayer Transition Metal Trichalcogenides
• Interplay between multipolar spin interactions, Jahn-Teller effect and electronic correlation in a $J_{eff}=\frac{3}{2}$ insulator
• Spectral functions of Sr${}_2$IrO${}_4$: theory versus experiment
• Persistent Insulator: Avoidance of Metallization at Megabar Pressures in Strongly Spin-Orbit-Coupled Sr2IrO4
• Comparative ab initio study of the structural, electronic, magnetic, and dynamical properties of LiOsO${}_3$ and NaOsO${}_3$
• Spin-orbit coupling and correlations in three-orbital systems
• ARPES study of orbital characters, symmetry breakings and pseudogaps in doped and pure Sr2IrO4
• Non-local Coulomb correlations in pure and electron-doped ${\mathrm{Sr}}_2{\mathrm{IrO}}_4$: spectral functions, Fermi surface and pseudogap-like spectral weight distributions from oriented cluster dynamical mean field theory
• Osmates on the verge of a Hund's-Mott transition: The different fates of NaOsO${}_3$ and LiOsO${}_3$
• Coexistence of metallic and nonmetallic properties in the pyrochlore Lu${}_2$Rh${}_2$O${}_7$
• Spin-orbit effects in pentavalent Iridates: Models and materials
• 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
• Theoretical evidence of spin-orbital-entangled $J_{\mathbf{eff}}$=1/2 state in the 3$d$ transition metal oxide CuAl${}_2$O${}_4$
• Hidden orders in spin-orbit entangled correlated insulators
• Spin-orbit coupling driven insulating state in hexagonal iridates Sr3MIrO6 (M = Sr, Na and Li)
• Nature of the Doping-Driven Metal-Insulator Transition in Correlated Electron Systems with strong Hund's Exchange Coupling
• Spin-phonon interactions and magnetoelectric coupling in Co${}_4$$B_2$O${}_9$ ($B$ = Nb, Ta)
• Direct comparison of ARPES, STM, and quantum oscillation data for band structure determination in Sr${}_2$RhO${}_4$
• Small moments without long-range magnetic ordering in the zero-temperature ground state of the double-perovskite iridate Ba${}_2$YIrO${}_6$
• Single crystal growth of iridates without platinum impurities
• Correlated motion of particle-hole excitations across the renormalized spin-orbit gap in $\mathrm{S}{\mathrm{r}}_2\mathrm{Ir}{\mathrm{O}}_4$
• High-pressure synthesis of Ba${}_2$RhO${}_4$, a rhodate analogue of the layered perovskite Sr-ruthenate
• Orbitally-selective Breakdown of the Fermi Liquid and Simultaneous Enhancement of Metallic and Insulating States in Correlated Multi-band Systems with Spin-orbit Coupling
• Possible superconductivity induced by a large spin-orbit coupling in carrier doped iridium oxide insulators: A weak coupling approach
• Pseudo-spin rotation symmetry breaking by Coulomb interaction terms in spin-orbit coupled systems
• The rich phase diagram of the prototypical iridate Ba${}_2$IrO${}_4$: Effective low-energy models and metal-insulator transition
• Defect Engineered Room-Temperature Ferromagnetism in Quasi-Two-Dimensional Nitrided CoTa2O6
• Intershell Interactions in Correlated Materials: A Slave Rotor Approach
• Fortuitous partners of antiferromagnetic and Mott states in spin-orbit-coupled Sr2IrO4: A study of Sr2Ir1-xMxO4 (M=Fe or Co)
• Low-energy structure and topology of the two-band Hubbard-Kanamori model
• Comparing the effective enhancement of local and non-local spin-orbit couplings on honeycomb lattices due to strong electronic correlations