Related papers: CaIrO3: a Spin-Orbit Mott Insulator Beyond the jef…
The hexagonal 4d ruthenates Ba3MRu2O9 host structural dimers and exhibit a delicate balance of competing interactions. Hund's coupling, trigonal crystal-field splitting, and hopping for $a_{1g}$ and $e_g^\pi$ orbitals all fall within a…
We report results of our study of a newly synthesized honeycomb iridate NaxIrO3 (0.60 < x < 0.80). Single-crystal NaxIrO3 adopts a honeycomb lattice noticeably without distortions and stacking disorder inherently existent in its sister…
It is commonly anticipated that an insulating state collapses in favor of an emergent metallic state at high pressures as the unit cell shrinks and the electronic bandwidth broadens to fill the insulating energy band gap. Here we report a…
Based on a microscopic theoretical study, we show that novel superconductivity is induced by carrier doping in layered perovskite Ir oxides where a strong spin-orbit coupling causes an effective total angular momentum J_{eff}=1/2 Mott…
Sr2IrO4 is an archetypal spin-orbit-coupled Mott insulator with an antiferromagnetic state below 240 K. Here we report results of our study on single crystals of Sr2Ir1-xFexO4 (0<x<0.32) and Sr2Ir1-xCoxO4 (0<x<0.22). Fe doping retains the…
Motivated by studies of coexisting electron correlation and spin-orbit coupling effect in Na$_2$IrO$_3$ and a recent experiment of its 4d analogue Li$_2$RhO$_3$, we performed first-principles calculations of the rhodium oxide compound. The…
Sr2IrO4 is a spin-orbit coupled insulator with an antiferromagnetic (AFM) transition at TN=240 K. We report results of a comprehensive study of single-crystal Sr2Ir1-xTbxO4. This study found that mere 3% (x=0.03) tetravalent Tb4+(4f7)…
Strong spin-orbit coupling (SOC) effects of heavy $d$-orbital elements have long been neglected in describing the ground states of their compounds thereby overlooking a variety of fascinating and yet unexplored magnetic and electronic…
The complex iridium oxide Na3Ir3O8 with a B-site ordered spinel structure was synthesized in single crystalline form, where the chiral hyper-kagome lattice of Ir atoms, as observed in the spin-liquid candidate Na4Ir3O8, was identified. The…
The electronic structure of the perovskite LaCoO$_3$ for different spin states of Co ions was calculated in the LDA+U approach. The ground state was found to be a nonmagnetic insulator with Co ions in a low-spin state. Somewhat higher in…
The electronic ground state of Ca3LiOsO6 was recently considered within an intermediate coupling regime that revealed J=3/2 spin-orbit entangled magnetic moments. Through inelastic neutron scattering and density functional theory we…
We investigate the electronic and magnetic structures and the character and direction of spin and orbital moments of the recently synthesized quadruple perovskite cobaltovanadate CaCo3V4O12 using a selection of methods from density…
Ytterbium-based delafossites with effective S=1/2 moments are investigated intensively as candidates for quantum spin-liquid ground states. While the synthesis of related cerium compounds has also been reported,many important details…
We investigate the metal-to-insulator phase transition driven by the density-density electronic interaction in the quarter-filled model on a cubic lattice with two orbitals split by a crystal field. We show that a systematic consideration…
Layered perovskite iridates realize a rare class of Mott insulators that are predicted to be strongly spin-orbit coupled analogues of the parent state of cuprate high-temperature superconductors. Recent discoveries of pseudogap, magnetic…
The spin-orbit Mott insulator Sr3Ir2O7 provides a fascinating playground to explore insulator-metal transition driven by intertwined charge, spin, and lattice degrees of freedom. Here, we report high pressure electric resistance and…
It has recently been proposed that Na4Ir3O8 is a weak Mott insulator at ambient pressure, supporting a three-dimensional spin liquid phase with a spinon Fermi surface. This proposal is consistent with recent experimental findings that the…
We present first-principles studies on the orbital states of the layered perovskites Ca$_{2-x}$Sr$_x$RuO$_4$. The crossover from antiferromagnetic (AF) Mott insulator for $x < 0.2$ to nearly ferromagnetic (FM) metal at $x=0.5$ is…
Materials that exhibit both strong spin orbit coupling and electron correlation effects are predicted to host numerous new electronic states. One prominent example is the Jeff =1/2 Mott state in Sr2IrO4, where introducing carriers is…
Strong spin-orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin-orbit and strong electron-electron interactions is just beginning to be understood. Central…