Related papers: Na2IrO3 as a molecular orbital crystal
In CaIrO3 electronic correlation, spin-orbit coupling, and tetragonal crystal field splitting are predicted to be of comparable strength. However, the nature of its ground state is still object of debate, with contradictory experimental and…
Na$_2$IrO$_3$ was one of the first materials proposed to feature the Kane-Mele type topological insulator phase. Contemporaneously it was claimed that the very same material is in a Mott insulating phase which is described by the…
We performed resonant x-ray diffraction experiments at the $L$ absorption edges for the post-perovskite-type compound CaIrO$_{3}$ with $(t_{2g})^5$ electronic configuration. By observing the magnetic signals, we could clearly see that the…
The Kitaev honeycomb model has been suggested as a useful starting point to describe the honeycomb iridates. However, the zigzag ordering seen in Na2IrO3 and the magnetic transition in Li2IrO3 have raised questions to their connection to…
I study the electronic structure and magnetism of postperovskite CaIrO$_3$ using first-principles calculations. The density functional calculations within the local density approximation without the combined effect of spin-orbit coupling…
We predict a quantum phase transition from normal to topological insulators in the 5$d$ transition metal oxide Na$_2$IrO$_3$, where the transition can be driven by the change of the long-range hopping and trigonal crystal field terms. From…
Hyperhoneycomb iridate $\beta$-Li$_2$IrO$_3$ is a three-dimensional analogue of two-dimensional honeycomb iridates, such as $\alpha$-Li$_2$IrO$_3$, which recently appeared as another playground for the physics of Kitaev-type spin liquid.…
We discuss the finite-temperature phase diagram of the Heisenberg-Kitaev model on the hexagonal lattice, which has been suggested to describe the spin-orbital exchange of the effective spin-1/2 momenta in the Mott insulating Iridate…
We consider spin-orbit coupling effects in Na$_4$Ir$_3$O$_8$, a material in which Ir$^{4+}$ spins form an hyper-kagom\'{e} lattice, a three-dimensional network of corner-sharing triangles. We argue that both low temperature thermodynamic…
The Heisenberg-Kitaev (HK) model on the triangular lattice is conceptually interesting for its interplay of geometric and exchange frustration. HK models are also thought to capture the essential physics of the spin-orbital entanglement in…
Recent studies exposed many remarkable properties of layered cobaltates NaxCoO2. Surprisingly, many-body effects have been found to increase at sodium-rich compositions of NaxCoO2 where one expects a simple, nearly free motion of the dilute…
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…
We study the effect of isoelectronic doping and external pressure in tuning the ground state of the honeycomb iridate Na$_2$IrO$_3$ by combining optical spectroscopy with synchrotron x-ray diffraction measurements on single crystals. The…
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…
Motivated by recent neutron, X-ray absorption and resonant scattering experiments, we revisit the electronic structure of V2O3. We propose a model in which S=1 V3+ ions are coupled in the vertical V-V pairs forming two-fold orbitally…
Our success in description of recent electron-spin-resonance results on Mott insulator LaCoO3, Phys. Rev. B 67 (2003) 172401, lies in taking into account strong electron correlations among d electrons and the relativistic spin-orbit…
In transition-metal compounds with partially filled $4d$ and $5d$ shells spin-orbit entanglement, electronic correlations, and crystal-field effects conspire to give rise to a variety of novel forms of topological quantum matter. This…
Transition metal oxides with 4d or 5d metals are of great interest due to the competing interactions, of the Coulomb repulsion and the itineracy of the d-electrons, opening a possibility of building new quantum ground states. Particularly…
Static electrical and magnetic properties of single crystal BaVS_3 were measured over the structural (T_S=240K), metal-insulator (T_MI=69K), and suspected orbital ordering (T_X=30K) transitions. The resistivity is almost isotropic both in…
We report $^{23}$Na and $^{59}$Co nuclear magnetic (NMR) and quadrupolar resonance (NQR) studies for the $x=2/3$ phase of the lamellar oxide Na$_{x}$CoO$_{2}$, which allowed us to establish reliably the atomic order of the Na layers and…