Numerical renormalization group study of the symmetric Anderson-Holstein model: phonon and electron spectral functions

We study the symmetric Anderson-Holstein (AH) model at zero temperature with Wilson's numerical renormalization group (NRG) technique to study the interplay between the electron-electron and electron-phonon interactions. An improved method for calculating the phonon propagator using the NRG technique is presented, which turns out to be more accurate and reliable than the previous works in that it calculates the phonon renormalization explicitly and satisfies the boson sum rule better. The method is applied to calculate the renormalized phonon propagators along with the electron propagators as the onsite Coulomb repulsion $U$ and electron-phonon coupling constant $g$ are varied. As $g$ is increased, the phonon mode is successively renormalized, and for $g \gtrsim g_{co}$ crosses over to the regime where the mode splits into two components, one of which approaches back to the bare frequency and the other develops into a soft mode. The initial renormalization of the phonon mode, as $g$ is increased from 0, depends on $U$ and the hybridization $\Delta$; it gets softened (hardened) for $U \gtrsim (\lesssim) U_s (\Delta)$. Correlated with the emergence of the soft mode is the central peak of the electron spectral function severely suppressed. These NRG calculations will be compared with the standard Green's function results for the weak coupling regime to understand the phonon renormalization and soft mode.Comment: 18 pages, 4 figures. Submitted to Phys. Rev.

Self-energy corrections to anisotropic Fermi surfaces

The electron-electron interactions affect the low-energy excitations of an electronic system and induce deformations of the Fermi surface. These effects are especially important in anisotropic materials with strong correlations, such as copper oxides superconductors or ruthenates. Here we analyze the deformations produced by electronic correlations in the Fermi surface of anisotropic two-dimensional systems, treating the regular and singular regions of the Fermi surface on the same footing. Simple analytical expressions are obtained for the corrections, based on local features of the Fermi surface. It is shown that, even for weak local interactions, the behavior of the self-energy is non trivial, showing a momentum dependence and a self-consistent interplay with the Fermi surface topology. Results are compared to experimental observations and to other theoretical results.Comment: 13 pages, 10 figure

Strong-Coupling Expansion for the Hubbard Model

A strong-coupling expansion for models of correlated electrons in any dimension is presented. The method is applied to the Hubbard model in $d$ dimensions and compared with numerical results in $d=1$. Third order expansion of the Green function suffices to exhibit both the Mott metal-insulator transition and a low-temperature regime where antiferromagnetic correlations are strong. It is predicted that some of the weak photoemission signals observed in one-dimensional systems such as $SrCuO_2$ should become stronger as temperature increases away from the spin-charge separated state.Comment: 4 pages, RevTex, 3 epsf figures include

Multi-band Gutzwiller wave functions for general on-site interactions

We introduce Gutzwiller wave functions for multi-band models with general on-site Coulomb interactions. As these wave functions employ correlators for the exact atomic eigenstates they are exact both in the non-interacting and in the atomic limit. We evaluate them in infinite lattice dimensions for all interaction strengths without any restrictions on the structure of the Hamiltonian or the symmetry of the ground state. The results for the ground-state energy allow us to derive an effective one-electron Hamiltonian for Landau quasi-particles, applicable for finite temperatures and frequencies within the Fermi-liquid regime. As applications for a two-band model we study the Brinkman-Rice metal-to-insulator transition at half band-filling, and the transition to itinerant ferromagnetism for two specific fillings, at and close to a peak in the density of states of the non-interacting system. Our new results significantly differ from those for earlier Gutzwiller wave functions where only density-type interactions were included. When the correct spin symmetries for the two-electron states are taken into account, the importance of the Hund's-rule exchange interaction is even more pronounced and leads to paramagnetic metallic ground states with large local magnetic moments. Ferromagnetism requires fairly large interaction strengths, and the resulting ferromagnetic state is a strongly correlated metal.Comment: 37 pages, 10 figures; accepted for publication in Phys. Rev. B 57 (March 15, 1998

Inhomogeneous Gutzwiller approximation with random phase fluctuations for the Hubbard model

We present a detailed study of the time-dependent Gutzwiller approximation for the Hubbard model. The formalism, labelled GA+RPA, allows us to compute random-phase approximation-like (RPA) fluctuations on top of the Gutzwiller approximation (GA). No restrictions are imposed on the charge and spin configurations which makes the method suitable for the calculation of linear excitations around symmetry-broken solutions. Well-behaved sum rules are obeyed as in the Hartree-Fock (HF) plus RPA approach. Analytical results for a two-site model and numerical results for charge-charge and current-current dynamical correlation functions in one and two dimensions are compared with exact and HF+RPA results, supporting the much better performance of GA+RPA with respect to conventional HF+RPA theory.Comment: 14 pages, 6 figure

Time-dependent Gutzwiller approximation for the Hubbard model

We develop a time-dependent Gutzwiller approximation (GA) for the Hubbard model analogous to the time-dependent Hartree-Fock (HF) method. The formalism incorporates ground state correlations of the random phase approximation (RPA) type beyond the GA. Static quantities like ground state energy and double occupancy are in excellent agreement with exact results in one dimension up to moderate coupling and in two dimensions for all couplings. We find a substantial improvement over traditional GA and HF+RPA treatments. Dynamical correlation functions can be easily computed and are also substantially better than HF+RPA ones and obey well behaved sum rules.Comment: 4 pages, 2 figure

Mott-Hubbard transition in infinite dimensions

We calculate the zero-temperature gap and quasiparticle weight of the half-filled Hubbard model with a random dispersion relation. After extrapolation to the thermodynamic limit, we obtain reliable bounds on these quantities for the Hubbard model in infinite dimensions. Our data indicate that the Mott-Hubbard transition is continuous, i.e., that the quasiparticle weight becomes zero at the same critical interaction strength at which the gap opens.Comment: 4 pages, RevTeX, 5 figures included with epsfig Final version for PRL, includes L=14 dat

Slave-Boson Mean-Field Theory of the Antiferromagnetic State in the Doubly Degenerate Hubbard Model - the Half-Filled Case -

The antiferromagnetic ground state of the half-filled Hubbard model with the doubly degenerate orbital has been studied by using the slave-boson mean-field theory which was previously proposed by the present author. Numerical calculations for the simple cubic model have shown that the metal-insulator transition does not take place except at the vanishing interaction point, in strong contrast with its paramagnetic solution. The energy gap in the density of states of the antiferromagnetic insulator is much reduced by the effect of electron correlation. The exchange interaction $J$ plays an important role in the antiferromagnetism: although for $J = 0$ the sublattice magnetic moment $m$ in our theory is fairly smaller than $m_{HFA}$ obtained in the Hartree-Fock approximation, $m$ for $J/U > 0.2$ ($U$: the Coulomb interaction) is increased to become comparable to $m_{HFA}$. Surprisingly, the antiferromagnetic state is easily destroyed if a small, negative exchange interaction ($J/U < -0.05$) is introduced.Comment: Latex 18 pages, 12 figures available on request to [email protected] Note: published in Phys. Rev. B with some minor modification

Quantum Monte Carlo calculation of the finite temperature Mott-Hubbard transition

We present clear numerical evidence for the coexistence of metallic and insulating dynamical mean field theory(DMFT) solutions in a half-filled single-band Hubbard model with bare semicircular density of states at finite temperatures. Quantum Monte Carlo(QMC) method is used to solve the DMFT equations. We discuss important technical aspects of the DMFT-QMC which need to be taken into account in order to obtain the reliable results near the coexistence region. Among them are the critical slowing down of the iterative solutions near phase boundaries, the convergence criteria for the DMFT iterations, the interpolation of the discretized Green's function and the reduction of QMC statistical and systematic errors. Comparison of our results with those of other numerical methods is presented in a phase diagram.Comment: 4 pages, 5 figure

Renormalization group analysis of the 2D Hubbard model

Salmhofer [Commun. Math. Phys. 194, 249 (1998)] has recently developed a new renormalization group method for interacting Fermi systems, where the complete flow from the bare action of a microscopic model to the effective low-energy action, as a function of a continuously decreasing infrared cutoff, is given by a differential flow equation which is local in the flow parameter. We apply this approach to the repulsive two-dimensional Hubbard model with nearest and next-nearest neighbor hopping amplitudes. The flow equation for the effective interaction is evaluated numerically on 1-loop level. The effective interactions diverge at a finite energy scale which is exponentially small for small bare interactions. To analyze the nature of the instabilities signalled by the diverging interactions we extend Salmhofers renormalization group for the calculation of susceptibilities. We compute the singlet superconducting susceptibilities for various pairing symmetries and also charge and spin density susceptibilities. Depending on the choice of the model parameters (hopping amplitudes, interaction strength and band-filling) we find commensurate and incommensurate antiferromagnetic instabilities or d-wave superconductivity as leading instability. We present the resulting phase diagram in the vicinity of half-filling and also results for the density dependence of the critical energy scale.Comment: 16 pages, RevTeX, 16 eps figure