Related papers: Spin-orbit effects in pentavalent Iridates: Models…

4$d$ transition metal oxide (TMO) offers an intriguing puzzle for their electronic and magnetic ground state. They are in the cross-over regime of strong spin orbit interaction (SOI) and electron-electron correlation ($U$) with quenched…

Novel phases of two dimensional electron systems resulting from new surface or interface modified electronic structures have generated significant interest in material science. We utilize photoemission spectroscopy to show that the…

Pyrochlore oxides with chemical formula of A2B2O7 exhibit a diverse range of electronic properties as a representative family of quantum materials. These properties mostly stem from strong electron correlations at the transition metal B…

Transition metal oxides exhibit various competing phases and exotic phenomena depending on how their reaction to the rich degeneracy of the $d$-orbital. Large spin-orbit coupling (SOC) reduces this degeneracy in a unique way by providing a…

We formulate and study a spin-orbital model for a family of cubic double perovskites with $d^1$ ions occupying a frustrated fcc sublattice. A variational approach and a complimentary analytical analysis reveal a rich variety of phases…

The interplay of spin-orbit interactions and Coulomb correlations has become a hot topic in condensed matter theory. Here, we review recent advances in dynamical mean-field theory-based electronic structure calculations for iridates and…

We study the $3d$ substitution in $4d$ transition metal oxides in the cases of $3d^3$ doping at either $3d^2$ or $4d^4$ sites which realize orbital dilution. We derive the effective $3d-4d$ (or $3d-3d$) superexchange in a Mott insulator…

The rich physics manifested by 5d oxides falls outside the Mott-Hubbard paradigm used to successfully explain the electronic and magnetic properties of 3d oxides. Much consideration has been given to the extent to which strong spin-orbit…

Different types of order are discussed in the context of strongly correlated transition metal oxides, involving pure compounds and $3d^{3}-4d^{4}$ and $3d^{2}-4d^{4}$ hybrids. Apart from standard, long-range spin and orbital orders we…

Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral…

Here we present a detailed investigation of the Co and Ir local electronic structures in La1.5A0.5CoIrO6 (A = Ba, Ca) compounds in order to unravel the orbital hybridization mechanism in these CoIr-based double perovskites. Our results of…

Transition-metal ions with $5d^2$ electronic configuration in a cubic crystal field are prone to have a vanishing dipolar magnetic moment but finite higher-order multipolar moments, and they are expected to exhibit exotic physical…

We study theoretically the effects of f-d magnetic exchange interaction in the R$_2$Ir$_2$O$_7$ pyrochlore iridates. The R$^{3+}$ f-electrons form localized magnetic doublets due to the crystal field environment, while the Ir$^{4+}$ d-…

We present a powder inelastic neutron scattering study of magnetic excitations in Ba$_2$FeReO$_6$, a member of the double perovskite family of materials which exhibit half-metallic behavior and high Curie temperatures. We find clear…

Spin crossover of iron is of central importance in solid Earth geophysics. It impacts all physical properties of minerals that altogether constitute $\sim 95$ vol\% of the Earth's lower mantle: ferropericlase [(Mg,Fe)O] and Fe-bearing…

We demonstrate that magnetic $3d$ impurities with $S=3/2$ spins and no orbital degree of freedom induce changes of spin-orbital order in a $4d^4$ Mott insulator with $S=1$ spins. Impurities act either as spin defects which decouple from the…

In a cubic environment, the ground state of spin-orbit coupled $5d^2$ ions is a non-Kramers $E_g$ doublet, which hosts quadrupole and octupole moments. A series of $5d^2$ osmium double perovskites Ba$_2M$OsO$_6$ (M = Mg, Ca, Zn, Cd) have…

The perovskite SrIrO3 is an exotic narrow-band metal owing to a confluence of the strengths of the spin-orbit coupling (SOC) and the electron-electron correlations. It has been proposed that topological and magnetic insulating phases can be…

Motivated by experiments on the double perovskites La2ZnIrO6 and La2MgIrO6, we study the magnetism of spin-orbit coupled j=1/2 iridium moments on the three-dimensional, geometrically frustrated, face-centered cubic lattice. The…

In this work, we report on the synthesis and magnetic properties of a series of double perovskites Ln$_2$ZnIrO$_6$ with Ln = Nd, Sm, Eu & Gd. These compounds present new examples of the rare case of double perovskites (general formula…