Related papers: Orbital Dependent Phase Control in Ca2-xSrxRuO4
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…
We study the manganese oxides from the viewpoint of the strongly correlated doped Mott insulator. The magnetic ordering and the charge transport are governed by the orbital degrees of freedom, and their dimensionality is controlled by the…
We investigate the structural, magnetic and spin-state transitions, and magnetocaloric properties of Sr$_{2-x}$La$_x$CoNbO$_6$ ($x=$ 0--1) double perovskites. The structural transition from tetragonal to monoclinic phase at $x$ $\geqslant$…
The 5d iridates have been the subject of much recent attention due to the predictions of a large array of novel electronic phases driven by twisting strong spin-orbit coupling and Hubbard correlation. As a prototype, the single layered…
We establish the double perovskite Ba$_2$CeIrO$_6$ as a nearly ideal model system for j=1/2 moments, with resonant inelastic x-ray scattering indicating a deviation of less than 1% from the ideally cubic j=1/2 state. The local j=1/2 moments…
The electric-current stabilized semi-metallic state in the quasi-two-dimensional Mott insulator Ca$_2$RuO$_4$ exhibits an exceptionally strong diamagnetism. Through a comprehensive study using neutron and X-ray diffraction, we show that…
Strongly anisotropic spin-orbit coupling (SOC) renormalization and strongly enhanced orbital magnetic moments are obtained in the fully self consistent approach including the orbital off-diagonal spin and charge condensates. For moderate…
The origin of successive phase transitions observed in the layered perovskite $\alpha$-Sr$_2$CrO$_4$ is studied by the density-functional-theory-based electronic structure calculation and mean-field analysis of the proposed low-energy…
We analyzed the possible magnetic and orbital orderings of double perovskites, using a simple extension of the double exchange model well suited for these compounds. Orbital ordering is favored by the on site repulsion at the Fe ions. We…
Using resonant x-ray diffraction, we observe an easy c-axis collinear antiferromagnetic structure for the bilayer Sr$_3$Ir$_2$O$_7$, a significant contrast to the single layer Sr$_2$IrO$_4$ with in-plane canted moments. Based on a…
The magnetic structure of Ca$_2$MnReO$_6$ double perovskite is investigated by neutron powder diffraction and bulk magnetization, showing dominant non-collinear Mn magnetic moments [$4.35(7)$ $\mu_B$] that are orthogonally aligned with the…
The effective Hamiltonian for perovskite titanates is derived by taking into account the three-fold degeneracy of $t_{2g}$ orbitals and the strong electron-electron interactions. The magnetic and orbital ordered phases are studied in the…
We consider strongly spin-orbit coupled double perovskites A$_2$BB'O$_6$ with B' magnetic ions in either $d^1$ or $d^2$ electronic configuration and non-magnetic B ions. We provide insights into several experimental puzzles, such as the…
Electrons in a simple correlated system behave either as itinerant charge carriers or as localized moments. However, there is growing evidence for the coexistence of itinerant electrons and local moments in transition metals with nearly…
Interaction-driven metal-insulator transitions or Mott transitions are widely observed in condensed-matter systems. In multi-orbital systems, many-body physics is richer in which an orbital-selective metal-insulator transition is an…
The magnetic phase diagram of the perovskite-type Ti oxides as a function of the GdFeO3-type distortion is examined by using the Hartree-Fock analysis of a multiband d-p Hamiltonian from a viewpoint of competitions of the spin-orbit…
Insulator-to-metal transition in Ca$_{2}$RuO$_{4}$ has drawn keen attention because of its sensitivity to various stimulation and its potential controllability. Here, we report a direct observation of Fermi surface, which emerges upon…
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…
The key role of the orbital degree of freedom to understand the magnetic properties of layered ruthenates is here discussed. In the G-type antiferromagnetic phase of Ca$_2$RuO$_4$, recent X-ray experiments reported the presence of 0.5 hole…
Applying the correlated electronic structure method based on density functional theory plus the Hubbard $U$ interaction, we have investigated the tetragonal scheelite structure Mott insulator KOsO$_4$, whose $e_g^1$ configuration should be…