Related papers: $\alpha$-RuCl3: a Spin-Orbit Assisted Mott Insulat…
We explore the potential experimental realization of the mixed-spin Kitaev model in materials such as Zr$_{0.5}$Ru$_{0.5}$Cl$_3$, where spin-1/2 and spin-3/2 ions occupy distinct sublattices of a honeycomb lattice. By developing a…
We present first-principles results on the magnetoelastic coupling in $\alpha$-RuCl$_3$ and uncover a striking dependence of the magnetic coupling constants on strain effects. Different magnetic interactions are found to respond very…
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…
A $t_{2g}^5$ system with a honeycomb lattice structure such as Na$_2$IrO$_3$ was firstly proposed as a topological insulator even though Na$_2$IrO$_3$ and its isostructural materials in nature have been turned out to be a Mott insulator…
Spin-$1/2$ chains with alternating antiferromagnetic and ferromagnetic couplings have attracted considerable interest due to the topological character of their spin excitations. Here, using density functional theory and density matrix…
We study the general phase diagram of correlated electrons for iridium-based (Ir) compounds on the hyperhoneycomb lattice---a crystal structure where the Ir$^{4+}$ ions form a three-dimensional network with three-fold coordination recently…
Tailoring spin-orbit interactions and Coulomb repulsion are the key features to observe exotic physical phenomena such as magnetic anisotropy and topological spin texture at oxide interfaces. Our study proposes a novel platform for…
We have performed high resolution neutron diffraction and inelastic neutron scattering experiments in the frustrated multiferroic hexagonal compounds RMnO3 (R=Ho, Yb, Sc, Y), which provide evidence of a strong magneto-elastic coupling in…
In the quest for materials hosting Kitaev spin liquids, much of the efforts have been focused on the fourth- and fifth-row transition metal compounds, which are spin-orbit coupling assisted Mott insulators. Here, we study the structural and…
Substitution effects of Os for Ru in {\alpha}-RuCl3 are investigated in a wide composition range of 0 =< x =< 0.67 in Ru1-xOsxCl3 by X-ray and electron diffraction, magnetic susceptibility, heat capacity, and Raman spectroscopy…
A polymorph of RuI$_3$ synthesized under high pressure was found to have a two-layered honeycomb structure. The resistivity of RuI$_3$ exhibits a semimetallic behavior, in contrast to insulating properties in $\alpha$-RuCl$_3$. In addition,…
The intertwined charge, spin, orbital, and lattice degrees of freedom could endow 5d compounds with exotic properties. Current interest is focused on electromagnetic interactions in these materials, whereas the important role of lattice…
In RuCl$_3$, inelastic neutron scattering and Raman spectroscopy reveal a continuum of non-spin-wave excitations that persists to high temperature, suggesting the presence of a spin liquid state on a honeycomb lattice. In the context of the…
The recent advances in angle resolved photoemission techniques allowed the unambiguous experimental confirmation of spin charge decoupling in quasi one dimensional (1D) Mott insulators. This opportunity stimulates a quantitative analysis of…
Ru M$_3$-edge resonant inelastic x-ray scattering (RIXS) measurements of RuCl$_3$ with 27 meV resolution reveals a spin-orbit exciton without noticeable splitting. We extract values for the spin-orbit coupling constant ($\lambda=154\pm2$…
We consider the quasi-two-dimensional pseudo-spin-1/2 Kitaev - Heisenberg model proposed for A2IrO3 (A=Li, Na) compounds. The spin-wave excitation spectrum, the sublattice magnetization, and the transition temperatures are calculated in the…
Using density functional theory calculations with a Hubbard $U$, we explore topologically nontrivial phases in $X_2$O$_3$ honeycomb layers with $X=$ $4d$ and $5d$ cation inserted in the band insulator $\alpha$-Al$_2$O$_3$ along the…
We have studied the electronic structure of BaCoO$_3$ using soft x-ray absorption spectroscopy at the Co-$L_{2,3}$ and O-$K$ edges, magnetic circular dichroism at the Co-$L_{2,3}$ edges, as well as valence band hard x-ray photoelectron…
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…
We study optical excitations across the Mott gap in the multi-orbital Mott-Hubbard insulators RVO3. The multi-peak structure observed in the optical conductivity can be described consistently in terms of the different 3d^3 multiplets or…