Related papers: Na2IrO3 as a molecular orbital crystal

KCoO2 has been found in 1975 to exist in a unique structure with P4/nmm spacegroup with Co in a square pyramidal coordination with the Co atoms in the plane linked by O in a square arrangement reminiscent of the cuprates but its electronic…

The recently discovered three-dimensional hyperhoneycomb iridate, $\beta$-Li$_2$IrO$_3$, has raised hopes for the realization of dominant Kitaev interaction between spin-orbit entangled local moments due to its near-ideal lattice structure.…

We point out that the orbital magnetism has to be taken into account in the description of real 3d-ion compounds. According to the developed by us the Quantum-Atomistic Solid-State (QUASST) theory in compounds containing open…

We report high-resolution angle-resolved photoemission spectroscopy measurements on the honeycomb iridate Na2IrO3. Our measurements reveal the existence of a metallic surface band feature crossing the Fermi level with nearly linear…

Using first-principles electronic structure calculations, we have extensively studied the electronic and magnetic properties of alkali sodium superoxide (NaO2) in comparison with that of potassium superoxide (KO2) both at high and low…

The crystal structure, resistivity, and magnetic susceptibility of the Li2Ir1-xRuxO3 (x = 0-1) polycrystals have been investigated. We found that the parent antiferromagnetic phase disappears for x > 0.2 and bond dimers appear in the…

We present a theory of spin and orbital states in Mott insulator $LaTiO_3$. The spin-orbital superexchange interaction between $d^1(t_{2g})$ ions in cubic crystal suffers from a pathological degeneracy of orbital states at classical level.…

We claim that for calculations of the electronic structure of 3d oxides very strong electron correlations have to be taken into account similarly to those assumed in many-electron crystal field approach. For Co3+ ions in NaxCoO2.yH2O there…

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…

In the perovskite Ti oxide RTiO3 (R=rare-earth ions), the Ti t2g orbitals and spins in the 3d^1 state couple each other through the strong electron correlations, resulting in a rich variety of orbital-spin phases. The origin and nature of…

We have synthesized single crystals of Na$_3$Co$_2$SbO$_6$ and characterized the structure and magnetic order by measuring anisotropic magnetic properties, heat capacity, x-ray and neutron single crystal diffraction. Magnetic properties and…

We report the successful synthesis of single-crystals of the layered iridate, (Na$_{1-x}$Li$_{x}$)$_2$IrO$_3$, $0\leq x \leq 0.9$, and a thorough study of its structural, magnetic, thermal and transport properties. The new compound allows a…

Kitaev materials are of great interest due to their potential in realizing quantum spin liquid (QSL) states and applications in topological quantum computing. In the pursuit of realizing Kitaev QSL, a Mott insulator with strong…

Na$_{3}$Co$_{2}$SbO$_6$ is a promising candidate to realize the Kitaev spin liquid phase since the large Kitaev spin exchange interaction is tunable via the change in electronic structure, such as the trigonal crystal field splitting…

We show that the topological Kitaev spin liquid on the honeycomb lattice is extremely fragile against the second-neighbor Kitaev coupling $K_2$, which has recently been shown to be the dominant perturbation away from the nearest-neighbor…

A comprehensive investigation of the electronic and magnetic properties of NaOsO3 has been made using the first principle calculations, in order to understand the importance of Coulomb interaction, spin-orbit coupling and magnetic order in…

The effect of isoelectronic substitution within single crystals of (Sr1-xCax)2-yIrO4+z is explored. The nominal n=1 Ruddlesden-Popper phase with y=0, z=0 remains stable from x=0 until x=0.11, where the antiferromagnet spin-orbit Mott…

Two-dimensional electron gases (2DEGs) in SrTiO$_3$ have become model systems for engineering emergent behaviour in complex transition metal oxides. Understanding the collective interactions that enable this, however, has thus far proved…

Layered cobaltates embody novel realizations of correlated quantum matter on a spin-1/2 triangular lattice. We report a high-resolution systematic photoemission study of the insulating cobaltates (Na1/2CoO2 and K1/2CoO2). Observation of…

The nature of the electronic groundstate of Ba2IrO4 has been addressed using soft X-ray absorption and inelastic scattering techniques in the vicinity of the oxygen K edge. From the polarization and angular dependence of XAS we deduce an…