Related papers: CaIrO3: a Spin-Orbit Mott Insulator Beyond the jef…

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 insulating ground state of the 5d transition metal oxide CaIrO3 has been classified as a Mott-type insulator. Based on a systematic density functional theory (DFT) study with local, semilocal, and hybrid exchange-correlation…

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…

The Jeff=1/2 state is manifested in systems with large cubic crystal field splitting and spin-orbit coupling that are comparable to the on-site Coulomb interaction, U. 5d transition metal oxides host parameters in this regime and strong…

Spin-orbit coupling (SOC) often gives rise to interesting electronic and magnetic phases in an otherwise ordinary pool of paramagnetic heavy metal oxides. In presence of strong SOC, assumed to be working in $j$-$j$ coupling regime, 5$d^4$…

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…

The semi-metallic behavior of the perovskite iridate SrIrO3 shifts the end-member of the strongly spin-orbit (SO) coupled Ruddlesden-Popper series Srn+1IrnO3n+1 away from the Mott insulating regime and the half-filled pseudospin Jeff=1/2…

The combination of strong spin-orbit coupling and Coulomb interactions makes the $5d$ iridates a unique platform for realizing novel correlated electronic states. Here, utilizing infrared spectroscopy, we demonstrate that a robust Mott…

The spin-orbit coupling (SOC) interactions, electron correlation effects and Hund coupling cooperate and compete with each other, leading to novel properties, quantum phase and non-trivial topological electronic behavior in iridium oxides.…

We present an anti-ferromagnetically ordered ground state of Na$_{2}$IrO$_{3}$ based on density-functional-theory calculations including both spin-orbit coupling and on-site Coulomb interaction $U$. We show that the splitting of $e_{g}'$…

A burning question in the emerging field of spin-orbit driven insulating iridates, such as Na2IrO3 and Li2IrO3 is whether the observed insulating state should be classified as a Mott-Hubbard insulator derived from a half-filled relativistic…

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…

We investigate the electronic structure of two Ir$^{5+}$ honeycomb iridates, Sr$_3$CaIr$_2$O$_9$ and NaIrO$_3$, by means of resonant x-ray techniques. We confirm that Sr$_3$CaIr$_2$O$_9$ realizes a large spin-orbit driven non-magnetic $J =…

We employ first-principles density-functional theory, to perform a comparative investigation of the effect of the spin-orbit coupling (SOC) on the electronic and magnetic properties of three experimentally synthesized and characterized…

The electronic structure of the honeycomb lattice iridates Na2IrO3 and Li2IrO3 has been investigated using resonant inelastic x-ray scattering (RIXS). Crystal-field split d-d excitations are resolved in the high-resolution RIXS spectra. In…

The electronic structure of Sr$_3$CuIrO$_6$, a model system for the 5d Ir ion in an octahedral environment, is studied through a combination of resonant inelastic x-ray scattering (RIXS) and theoretical calculations. RIXS spectra at the Ir…

We have studied the electronic structure of BaCoO$_3$ using soft x-ray absorption spectroscopy at the Co-$L_{2,3}$ and O-$K$ edges, magnetic circular dichroism at the Co-$L_{2,3}$ edges, as well as valence band hard x-ray photoelectron…

In so-called $j_\mathrm{eff} = 1/2$ systems, including some iridates and ruthenates, the coherent superposition of $t_\mathrm{2g}$ orbitals in the ground state gives rise to hopping processes that strongly depend on the bond geometry.…

Recent theoretical predictions of "unprecedented proximity" of the electronic ground state of iridium fluorides to the SU(2) symmetric $j_{\mathrm{eff}}=1/2$ limit, relevant for superconductivity in iridates, motivated us to investigate…

We report on the study of insulator-to-metal transition in post-perovskite compound CaIrO3. It is discovered that a gradual chemical substitution of calcium by yttrium leads to the onset of strong metallic behavior in this compound. This…