Related papers: Nature of the Mott transition in Ca2RuO4
A new concept is proposed for the paramagnetic metal insulator transition in the layer perovskite Ca_{2-x}Sr_xRuO_4. Whereas the pure Sr compound is metallic up to very large Coulomb energies due to strong orbital fluctuations, structural…
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…
We propose a new mechanism for the paramagnetic metal-insulator transition in the layered perovskite Ca$_{2-x}$Sr$_{x}$RuO$_{4}$ (0<x<0.2). The LDA+U approach including spin-orbit coupling is used to calculate the electronic structures. In…
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…
Quasi-particle spectra of the layer perovskite Sr$_2$RuO$_4$ are calculated within Dynamical Mean Field Theory for increasing values of the on-site Coulomb energy $U$. At small $U$ the planar geometry splits the $t_{2g}$ bands near $E_F$…
Metal insulator transitions driven by local Coulomb interactions are among the most fascinating phenomena in condensed matter physics. They occur in a large variety of transition metal compounds. Most of these strongly correlated materials…
We report a first-order phase transition at T_M=357 K in single crystal Ca_2RuO_4, an isomorph to the superconductor Sr_2RuO_4. The discontinuous decrease in electrical resistivity signals the near destruction of the Mott insulating phase…
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…
We have investigated the structural, electronic and magnetic properties of the Mott-insulator Ca2RuO4 under the application of a static external electric field in two regimes: bulk systems at small fields and thin films at large electric…
By applying dynamical mean-field theory in combination with exact diagonalization at zero temperature to a half-filled Hubbard model with two orbitals having distinct noninteracting densities of states, we show that an orbital selective…
We have investigated the temperature evolution of magnetism and its interrelation with structural parameters in perovskite-based layered compound Sr$_2$IrO$_4$, which is believed to be a $J_{eff}$ = 1/2 Mott insulator. The structural…
The Mott transition in a multi-orbital Hubbard model involving subbands of different widths is studied within the dynamical mean field theory. Using the iterated perturbation theory for the quantum impurity problem it is shown that at low…
We utilize a glass-like structural transition in order to induce a Mott metal-insulator transition in the quasi-two-dimensional organic charge-transfer salt $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Br. In this material, the terminal ethylene…
V2O3 is the prototype system for the Mott transition, one of the most fundamental phenomena of electronic correlation. Temperature, doping or pressure induce a metal to insulator transition (MIT) between a paramagnetic metal (PM) and a…
Quantum transitions between the Mott insulator and metals by controlling filling in two-dimensional square lattice are characterized by a large dynamical exponent $z=4$ where the origin of unusual metallic properties near the Mott insulator…
Ca$_2$FeMnO$_6$ (CFMO) double perovskite was studied using first principles density functional theory and tight-binding (TB) Hamiltonian modeling using extended Hubbard model. We have shown by electronic structure analysis that charge- and…
We investigate the Mott transitions in two-orbital Hubbard systems. Applying the dynamical mean field theory and the self-energy functional approach, we discuss the stability of itinerant quasi-particle states in each band. It is shown that…
We have investigated the systematic transport properties of the layered 112-type cobaltite LaBaCo2O5.5 by means of electrical resistivity, magnetoresistance, electroresistance and thermoelectric measurements in various conditions. In order…
The insulator to metal transition in LaTiO_3 induced by La substitution via Sr is studied within multi-band exact diagonalization dynamical mean field theory at finite temperatures. It is shown that weak hole doping triggers a large…
Anomalous low temperature electronic and structural behaviour has been discovered in PbRuO3. The structure (space group Pnma, a = 5.56314(1), b = 7.86468(1), c = 5.61430(1) A) and metallic conductivity at 290 K are similar to those of…