Related papers: LDA+DMFT study for $La_{1-x}Sr_{x}TiO_{3}$
We investigate the evolution of the electronic structure in SrRu_(1-x)Ti_xO_3 as a function of x using high resolution photoemission spectroscopy, where SrRuO3 is a weakly correlated metal and SrTiO3 is a band insulator. The surface spectra…
The combination of bandstructure theory in the local density approximation with dynamical mean field theory was recently successfully applied to V$_2$O$_3$ -- a material which undergoes the f amous Mott-Hubbard metal-insulator transition…
We formulate a rigorous method for calculating a nonadiabatic (frequency-dependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequilibrium properties of strongly correlated systems within…
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…
We study the photo-excitation dynamics of correlated band insulators, using non-equilibrium dynamical mean-field theory for the ionic Hubbard model. We find two distinct behaviors, depending on the ratio of the on-site interaction $U$ and…
We study novel electronic properties of the Hubbard model on a triangular lattice using the cellular dynamical mean-field theory. The interplay of strong geometric frustration and electron correlations causes a Mott transition at the…
Though most fermionic Mott insulators order at low temperatures, ordering is ancillary to their insulating behaviour. Our emphasis here is on disentangling ordering from the intrinsic strongly correlated physics of a doped half-filled band.…
We apply the density-matrix renormalization group (DMRG) method to a one-dimensional Hubbard model that lacks Umklapp scattering and thus provides an ideal case to study the Mott-Hubbard transition analytically and numerically. The model…
Three fundamentally different electronic structures for 3d electron states in LaCoO3, discussed in the current literature, have been presented. We are in favour of the localized electron atomic- like approach that yields the discrete energy…
We describe a new microscopic approach for analyzing interacting electron systems with local moments or, in principle, any local order parameter. We specialize attention to the doped Mott insulator phase of the Hubbard model, where standard…
The nonlinear optical properties and electro-optic effects of some oxygen-octahedric ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle…
The room temperature (300 K) electronic structure of pulsed laser deposited LaNi_{x}V_{1-x}O_{3} thin films have been demonstrated. The substitution of early-transition metal (TM) V in LaVO_{3} thin films with late-TM Ni leads to the…
We study the Hubbard model with time-reversal invariant flux and spin-orbit coupling and position-dependent onsite energies on the kagome lattice, using numerical and analytical methods. In particular, we perform calculations using real…
Density of states, dynamic (optical) conductivity and phase diagram of strongly correlated and strongly disordered paramagnetic Anderson-Hubbard model are analyzed within the generalized dynamical mean field theory (DMFT+\Sigma…
We study the electron-energy loss spectra of strongly correlated electronic systems doped away from half-filling using dynamical mean-field theory ($d=\infty$). The formalism can be used to study the loss spectra in the optical (${\bf…
The electron-doped Pr(2-x)Ce(x)CuO(4) (PCCO) compound in the pseudogap regime (x~0.15) was investigated using angle-resolved photoemission spectroscopy (ARPES) and the generalized dynamical mean-field theory (DMFT) with the k-dependent…
We investigate a photoinduced insulator-metal transition in the Falicov-Kimball model with the dynamical mean-field theory (DMFT) extended to nonequilibrium systems in periodic modulations in time. When the photon energy of the pump light…
LDA+DMFT (Local Density Approximation combined with Dynamical Mean-Field Theory) computation scheme has been used to calculate spectral properties of LaFeAsO -- the parent compound for new high-T$_c$ iron oxypnictides. Coulomb repulsion $U$…
We investigate superconductivity emerging in the photodoped Mott insulating Hubbard model using steady-state dynamical mean-field theory implemented on the real-frequency axis. By employing high-order strong-coupling impurity solvers, we…
A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…