Related papers: Coexisting charge and magnetic orders in the dimer…

The electronic structures of the metallic and insulating phases of the alloy series Ca(2-x)Sr(x)RuO4 (0 <= x <= 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. In the end members the groundstate…

The nature of insulating phase in 5$d$ based Sr$_2$IrO$_4$ is quite debated as the theoretical as well as experimental investigations have put forward evidences in favor of both magnetically driven Slater-type and interaction driven…

Recent theory and experiment have revealed that strong spin-orbit coupling can have dramatic qualitative effects on the band structure of weakly interacting solids. Indeed, it leads to a distinct phase of matter, the topological band…

We have carried out a detailed first-principles study of a d$^{4.5}$ quaternary iridate Ba$_3$YIr$_2$O$_9$ both in its 6H-perovskite-type ambient pressure (AP) phase and also for the high pressure (HP) cubic phase. Our analysis reveals that…

We study the electronic structure, magnetic state, and phase stability of paramagnetic BiNiO$_3$ near a pressure-induced Mott insulator-to-metal transition (MIT) by employing a combination of density functional and dynamical mean-field…

Under the influence of an external magnetic field and spin-changing collisions, the band insulator (BI) state of one-dimensional (1D) s-wave repulsively interacting 4-component fermions at half-filling transforms into Mott insulator (MI)…

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…

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)…

The electronic states of many Mott insulators, including iridates, are often conceptualized in terms of localized atomic states such as the famous "$J_\text{eff}=1/2$ state". Although, orbital hybridization can strongly modify such states…

The competition between kinematic, relativistic and Coulombic interactions in iridium-based oxides has spurred intense experimental and theoretical investigations regarding the electronic structure and magnetism. We argue here that the…

The nature of the Mott transition in the absence of any symmetry braking remains a matter of debate. We study the correlation-driven insulator-to-metal transition in the prototypical 3D Mott system GaTa4Se8, as a function of temperature and…

Solid solutions of the magnetic insulators Ba3Cr2O8 and Sr3Cr2O8 (Ba3-xSrxCr2O8) have been prepared in polycrystalline form for the first time. Single crys- talline material was obtained using a mirror image floating zone technique. X-ray…

It has been well established experimentally that the interplay of electronic correlations and spin-orbit interactions in Ir$^{4+}$ and Ir$^{5+}$ oxides results in insulating J$_{\rm eff}$=1/2 and J$_{\rm eff}$=0 ground states, respectively.…

Neutron diffraction, magnetization, resistivity, and heat capacity measurements on the 6H-perovskite Ba3BiRu2O9 reveal simultaneous magnetic and structural dimerization driven by strong magnetoelastic coupling. An isostructural but strongly…

We report an unusual magnetic ground state in single-crystal, double-perovskite Ba2YIrO6 and Sr doped Ba2YIrO6 with Ir5+(5d4) ions. Long-range magnetic order below 1.7 K is confirmed by DC magnetization, AC magnetic susceptibility and heat…

We discuss the notions of spin-orbital polarization and ordering in paramagnetic materials, and address their consequences in transition metal oxides. Extending the combined density functional and dynamical mean field theory scheme to the…

In quantum magnetism spin dimers are typically associated with spin-singlet states. To date, $triplet$ $dimerization$ has not been observed in any 3D or quasi-2D material. With this in mind we here discuss the electronic structure of the…

We show that the pressure-temperature phase diagram of the Mott insulator Ca$_{2}$RuO$_{4}$ features a metal-insulator transition at 0.5GPa: at 300K from paramagnetic insulator to paramagnetic quasi-two-dimensional metal; at $T \leq$ 12K…

Frustrated transition metal compounds in which spin-orbit coupling (SOC) and electron correlation work together have attracted much attention recently. In the case of 5$d$ transition metals, where SOC is large, $j_\text{eff}=1/2$ bands near…

Recent theoretical studies [Chen et al., Phys. Rev. B 82, 174440 (2010), Ishizuka et al., Phys. Rev. B 90, 184422 (2014)] for the magnetic Mott insulator Ba2NaOsO6 have proposed a low-temperature order parameter that breaks lattice…