Related papers: Realistic description of electron-energy loss spec…

We present the first calculation of the electron-energy loss spectrum of infinite one-dimensional undoped CuO_3 chains within a multi-band Hubbard model. The results show good agreement with experimental spectra of Sr_2CuO_3. The main…

Starting from \textit{ab-initio} calculations, we derive a five-band Hubbard model to describe the CuO$_2$ chains of LiCu$_2$O$_2$. This model is further simplified to a low-energy effective Heisenberg model with nearest-neighbor (NN)…

We investigated excitation spectra of the one-dimensional chain compound Sr$_{2}$CuO$_{3}$. The small peak at 2.3 eV in the loss function was turned to correspond to the strong charge transfer transition at 1.8 eV in conductivity. It has…

Sr_2CuO_3 and Ca_2CuO_3 are considered to be model systems of strongly anisotropic, spin-1/2 Heisenberg antiferromagnets. We report on the basis of a band-structure analysis within the local density approximation and on the basis of…

We have determined the dynamical dielectric response of a one-dimensional, correlated insulator by carrying out electron energy-loss spectroscopy on Sr2CuO3 single crystals. The observed momentum and energy dependence of the low-energy…

Spectroscopy experiments are routinely used to characterize the behavior of strongly correlated systems. An in-depth understanding of the different spectral features is thus essential. Here, we show that the spectrum of the multiorbital…

The one-band and three-band Hubbard models which describe the electronic structure of cuprates indicate very different values of effective electronic parameters, such as the on-site Coulomb energy and the hybridization strength. In…

Using group theoretical and numerical methods we have calculated the exact energy spectrum of the two-dimensional Hubbard model on square lattices with four electrons for a wide range of the interaction strength. All known symmetries, i.e.\…

We investigate the non-equilibrium dynamics of the one-dimensional extended Hubbard model after interaction quenches. In strong-coupling regime with large on-site interaction, the ground states of this model with small and large…

Using the time-dependent Lanczos method, we study the non-equilibrium dynamics of the one-dimensional ionic-mass imbalanced Hubbard chain driven by a quantum quench of the on-site Coulomb interaction, where the system is prepared in the…

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…

We calculate the electron-energy loss spectrum and the optical conductivity for NaV$_{2}$O$_{5}$ using the standard Lanczos algorithm. The vanadium ions in NaV$_{2}$O$_{5}$ form a system of coupled ladders which can be described by a…

Experiments on quasi-one-dimensional systems such as quantum wires and metallic chains on surfaces suggest the existence of electron-electron interactions of substantial range and hence physics beyond the Hubbard model. We therefore…

A multiband CuO Hubbard model is studied which incorporates long-range (LR) repulsive Coulomb interactions. In the atomic limit, it is shown that a charge-transfer from copper to oxygen ions occurs as the strength of the LR interaction is…

The electronic structure of Sr0.35CoO2, structurally analogous to the layered NaxCoO2, has been evaluated using the local spin density approximation (LSDA). We find that evident c-dispersions appear in both the e'g and a1g Co-derived bands,…

Using extended dynamical mean-field theory and its combination with the $GW$ approximation, we compute the phase diagrams and local spectral functions of the single-band extended Hubbard model on the square and simple cubic lattices,…

The dynamical mean-field theory together with the non-crossing approximation is used to set up a novel scheme to study the electronic structure of strongly correlated electron systems. The non-interacting band structure is obtained from a…

This work introduces a method for determining the energy spectrum of lattice quantum chromodynamics (LQCD) by applying the Lanczos algorithm to the transfer matrix and using a bootstrap generalization of the Cullum-Willoughby method to…

We present a joint theoretical and experimental study of the oxygen $K$-edge spectra for LaFeO$_3$ and homovalent Ni-substituted LaFeO$_3$ (LaFe$_{0.75}$Ni$_{0.25}$O$_3$), using first-principles simulations based on density-functional…

We use a mapping of the multiband Hubbard model for $CuO_{3}$ chains in $RBa_{2}Cu_{3}0_{6+x}$ (R=Y or a rare earth) onto a $t-J$ model and the description of the charge dynamics of the latter in terms pf s spinless model, to study the…