No Arabic abstract
We investigate the effect of the Coulomb interaction, $U_{cf}$, between the conduction and f electrons in the periodic Anderson model using the density-matrix renormalization-group algorithm. We calculate the excitation spectrum of the half-filled symmetric model with an emphasis on the spin and charge excitations. In the one-dimensional version of the model it is found that the spin gap is smaller than the charge gap below a certain value of $U_{cf}$ and the reversed inequality is valid for stronger $U_{cf}$. This behavior is also verified by the behavior of the spin and density correlation functions. We also perform a quantum information analysis of the model and determine the entanglement map of the f and conduction electrons. It is revealed that for a certain $U_{cf}$ the ground state is dominated by the configuration in which the conduction and f electrons are strongly entangled, and the ground state is almost a product state. For larger $U_{cf}$ the sites are occupied alternatingly dominantly by two f electrons or by two conduction electrons.
The density matrix renormalization group method is applied to obtain the ground state phase diagram of the single impurity Anderson model on the honeycomb lattice at half filling. The calculation of local static quantities shows that the phase diagram contains two distinct phases, the local moment (LM) phase and the asymmetric strong coupling (ASC) phase. These results are supported by the local spin and charge excitation spectra, which exhibit qualitatively different behavior in these two phases and also reveal the existence of the valence fluctuating point at the phase boundary. For comparison, we also study the low-energy effective pseudogap Anderson model. Although the high-energy excitations are obviously different, we find that the ground state phase diagram and the asymptotically low-energy excitations are in good quantitative agreement with those for the single impurity Anderson model on the honeycomb lattice, thus providing the first quantitative justification for the previous studies based on low-energy approximate approaches. Furthermore, we find that the lowest entanglement level is doubly degenerate for the LM phase, whereas it is singlet for the ASC phase and is accidentally three fold degenerate at the valence fluctuating point. Our results therefore clearly demonstrate that the low-lying entanglement spectrum can be used to determine with high accuracy the phase boundary of the impurity quantum phase transition.
Using the Density Matrix Renormalization Group technique we study the effect of spin-orbit coupling on a three-orbital Hubbard model in the $(t_{2g})^{4}$ sector and in one dimension. Fixing the Hund coupling to a robust value compatible with some multiorbital materials, we present the phase diagram varying the Hubbard $U$ and spin-orbit coupling $lambda$, at zero temperature. Our results are shown to be qualitatively similar to those recently reported using the Dynamical Mean Field Theory in higher dimensions, providing a robust basis to approximate many-body techniques. Among many results, we observe an interesting transition from an orbital-selective Mott phase to an excitonic insulator with increasing $lambda$ at intermediate $U$. In the strong $U$ coupling limit, we find a non-magnetic insulator with an effective angular momentum $langle(textbf{J}^{eff})^{2}rangle e 0$ near the excitonic phase, smoothly connected to the $langle(textbf{J}^{eff})^{2}rangle = 0$ regime. We also provide a list of quasi-one dimensional materials where the physics discussed in this publication could be realized.
We study the momentum distribution of the electrons in an extended periodic Anderson model, where the interaction, $U_{cf}$, between itinerant and localized electrons is taken into account. In the symmetric half-filled model, due to the increase of the interorbital interaction, the $f$ electrons become more and more delocalized, while the itinerancy of conduction electrons decreases. Above a certain value of $U_{cf}$ the $f$ electrons become again localized together with the conduction electrons. In the less than half-filled case, we observe that $U_{cf}$ causes strong correlations between the $f$ electrons in the mixed valence regime.
The ground state of a hole-doped t-t-J ladder with four legs favors a striped charge distribution. Spin excitation from the striped ground state is known to exhibit incommensurate spin excitation near q=(pi,pi) along the leg direction (qx direction). However, an outward dispersion from the incommensurate position toward q=(0,pi) is strong in intensity, inconsistent with inelastic neutron scattering (INS) experiment in hole-doped cuprates. Motivated by this inconsistency, we use the t-t-J model with m x n=96 lattice sites by changing lattice geometry from four-leg (24x4) to rectangle (12x8) shape and investigate the dynamical spin structure factor by using the dynamical density matrix renormalization group. We find that the outward dispersion has weak spectral weights in the 12x8 lattice, accompanied with the decrease of excitation energy close to q=(pi,pi), being consistent with the INS data. In the 12x8 lattice, weakening of incommensurate spin correlation is realized even in the presence of the striped charge distribution. For further investigation of geometry related spin dynamics, we focus on direction dependent spin excitation reported by recent resonant inelastic x-ray scattering (RIXS) for cuprate superconductors and obtain a consistent result with RIXS by examining an 8x8 t-t-J square lattice.
The real part of optical conductivity, $text{Re}sigma(omega)$, of the Mott insulators has a large amount of information on how spin and charge degrees of freedom interact with each other. By using the time-dependent density-matrix renormalization group, we study $text{Re}sigma(omega)$ of the two-dimensional Hubbard model on a square lattice at half filling. We find an excitonic peak at the Mott-gap edge of $text{Re}sigma(omega)$ not only for the two-dimensional square lattice but also for two- and four-leg ladders. For the square lattice, however, we do not clearly find a gap between an excitonic peak and continuum band, which indicates that a bound state is not well-defined. The emergence of an excitonic peak in $text{Re}sigma(omega)$ implies the formation of a spin polaron. Examining the dependence of $text{Re}sigma(omega)$ on the on-site Coulomb interaction and next-nearest neighbor hoppings, we confirm that an excitonic peak is generated from a magnetic effect. Electron scattering due to an electron-phonon interaction is expected to easily suppress an excitonic peak since spectral width of an excitonic peak is very narrow. Introducing a large broadening in $text{Re}sigma(omega)$ by modeling the electron-phonon coupling present in La$_{2}$CuO$_{4}$ and Nd$_{2}$CuO$_{4}$, we obtain $text{Re}sigma(omega)$ comparable with experiments.