Related papers: The interplay between structural, magnetic and ele…
Layered 5d transition metal oxides (TMOs) have attracted significant interest in recent years because of the rich physical properties induced by the interplay between spin-orbit coupling, bandwidth and on-site Coulomb repulsion. In Sr2IrO4,…
We apply the finite-temperature variational cluster approach to a strongly correlated and spin-orbit coupled model for four electrons (i.e. two holes) in the $t_{2g}$ subshell. We focus on parameters suitable for antiferromagnetic Mott…
Sr$_2$IrO$_4$ is an extensively studied spin-orbit coupling induced insulator with antiferromagnetic ground state. The delicate balance between competing energy scales plays crucial role for its low temperature phase, and the route of…
We report the structure and magnetic properties of a new iridate compound, SrxLa11-xIr4O24, where the d-electron count of Ir and therefore its number of unpaired electrons can be tuned continuously from 5d5 Ir4+ to 5d4 Ir5+, i.e. from…
The pyrochlore antiferromagnet Tb2Ti2O7 has proven to be an enigma to experimentalists and theorists working on frustrated magnetic systems. The experimentally determined energy level structure suggests a local <111> Ising antiferromagnet…
Mott physics is characterized by an interaction-driven metal-to-insulator transition in a partially filled band. In the resulting insulating state, antiferromagnetic orders of the local moments typically develop, but in rare situations no…
A rare combination of strong spin-orbit coupling and electron-electron correlations makes the iridate Mott insulator Sr$_2$IrO$_4$ a promising host for novel electronic phases of matter. The resemblance of its crystallographic, magnetic and…
The 3d electronic structure and phase transition in pure and Cr doped V2O3 are theoretically investigated in relation to the 3d spin-orbit interaction and lattice distortion. A model consisting of the nearest-neighbor V ion pair with full…
In the pyrochlore iridates, \textit{R}$_{2}$Ir$_{2}$O$_{7}$ (\textit{R} = Lanthanide, Y), determination of the magnetic structure of the iridium moments remains an outstanding problem despite the role this is expected to play in the…
We investigate the metal-insulator transition in the layered Ruddelsden Popper series of strontium iridates Srn+1IrnO3n+1. Tight-binding models of t2g orbitals for n = 1, 2, and infinity are constructed, and changes in band dispersion due…
Sr2IrO4 is a magnetic insulator driven by spin-orbit interaction (SOI) whereas the isoelectronic and isostructural Sr2RhO4 is a paramagnetic metal. The contrasting ground states have been shown to result from the critical role of the strong…
A new pyrochlore ruthenium oxide, Hg2Ru2O7 was synthesized under a high pressure of 6 GPa. In contrast to the extensively studied Ru4+ oxides, this compound possesses a novel Ru5+ valence state, corresponding to a half-filled t_2g_3…
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…
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.…
Spin correlations in metallic and insulating phases of $V_2O_3$ and its derivatives are investigated using magnetic neutron scattering. Metallic samples have incommensurate spin correlations varying little with hole doping. Paramagnetic…
Using spin-assisted ab-initio random structure searches, we explore an exhaustive quantum phase diagram of archetypal interfaced Mott insulators, i.e. lanthanum-iron and lanthanum-titanium oxides. In particular, we report that the charge…
We present measurements of the optical spectra on single crystals of spinel-type compound \cis. This material undergoes a sharp metal-insulator transition at 230 K. Upon entering the insulating state, the optical conductivity shows an…
We report low-temperature powder X-ray and neutron diffraction studies on breathing pyrochlore magnets Cu$M$Cr$_{4}$S$_{8}$ ($M$ = Al, Ga), which undergo a magnetic transition at $T_{\rm N} \approx$ 21 and 31 K for {$M$ = Al and Ga,…
A new class of materials termed topological insulators have been intensively investigated due to their unique Dirac surface state carrying dissipationless edge spin currents. Recently, it has been theoretically proposed that the three…
We study \textit{ab initio} a pyrochlore compound, CsW$_{2}$O$_{6}$, which exhibits a yet unexplained metal-insulator transition. We find that (1) the reported low-$T$ structure is likely inaccurate and the correct structure has a twice…