Magnetic incommensurability and fluctuating charge density waves in the repulsive Hubbard model

Magnetic and charge susceptibilities of the two-dimensional repulsive Hubbard model are investigated applying a strong coupling diagram technique in which the expansion in powers of the hopping constants is used. For small lattices and high temperatures results are in agreement with Monte Carlo simulations. With the departure from half-filling $x$ the low-frequency magnetic susceptibility becomes incommensurate and the incommensurability parameter grows with $x$. The incommensurability, its dependence on frequency and on $x$ resemble experimental results in lanthanum cuprates. Also for finite $x$ sharp maxima appear in the static charge susceptibility. The maxima are finite which points to the absence of the long-range charge ordering (static stripes). However, for $x\approx 0.12$ the maxima are located near the momenta $(0,\pm\pi/2)$, $(\pm\pi/2,0)$. In this case an interaction of carriers with tetragonal distortions can stabilize stripes with the wavelength of four lattice spacings, as observed in the low-temperature tetragonal phase of cuprates. As follows from the obtained results, the magnetic incommensurability is not a consequence of the stripes.Comment: 4 pages, 3 figures, manuscript for proceefings of LT2

Toward a systematic 1/d expansion: Two particle properties

We present a procedure to calculate 1/d corrections to the two-particle properties around the infinite dimensional dynamical mean field limit. Our method is based on a modified version of the scheme of Ref. onlinecite{SchillerIngersent}}. To test our method we study the Hubbard model at half filling within the fluctuation exchange approximation (FLEX), a selfconsistent generalization of iterative perturbation theory. Apart from the inherent unstabilities of FLEX, our method is stable and results in causal solutions. We find that 1/d corrections to the local approximation are relatively small in the Hubbard model.Comment: 4 pages, 4 eps figures, REVTe

Self-consistent Green function approach for calculations of electronic structure in transition metals

We present an approach for self-consistent calculations of the many-body Green function in transition metals. The distinguishing feature of our approach is the use of the one-site approximation and the self-consistent quasiparticle wave function basis set, obtained from the solution of the Schrodinger equation with a nonlocal potential. We analyze several sets of skeleton diagrams as generating functionals for the Green function self-energy, including GW and fluctuating exchange sets. Their relative contribution to the electronic structure in 3d-metals was identified. Calculations for Fe and Ni revealed stronger energy dependence of the effective interaction and self-energy of the d-electrons near the Fermi level compared to s and p electron states. Reasonable agreement with experimental results is obtained

Fluctuation Exchange Analysis of Superconductivity in the Standard Three-Band CuO2 Model

The fluctuation exchange, or FLEX, approximation for interacting electrons is applied to study instabilities in the standard three-band model for CuO2 layers in the high-temperature superconductors. Both intra-orbital and near-neigbor Coulomb interactions are retained. The filling dependence of the d(x2-y2) transition temperature is studied in both the "hole-doped" and "electron-doped" regimes using parameters derived from constrained-occupancy density-functional theory for La2CuO4. The agreement with experiment on the overdoped hole side of the phase diagram is remarkably good, i.e., transitions emerge in the 40 K range with no free parameters. In addition the importance of the "orbital antiferromagnetic," or flux phase, charge density channel is emphasized for an understanding of the underdoped regime.Comment: REVTex and PostScript, 31 pages, 26 figures; to appear in Phys. Rev. B (1998); only revised EPS figures 3, 4, 6a, 6b, 6c, 7 and 8 to correct disappearance of some labels due to technical problem

The Superconducting Instabilities of the non half-filled Hubbard Model in Two Dimensions

The problem of weakly correlated electrons on a square lattice is formulated in terms of one-loop renormalization group. Starting from the action for the entire Brillouin zone (and not with a low-energy effective action) we reduce successively the cutoff $\Lambda$ about the Fermi surface and follow the renormalization of the coupling $U$ as a function of three energy-momenta. We calculate the intrinsic scale $T_{co}$ where the renormalization group flow crosses over from the regime ($\Lambda > T_{co}$) where the electron-electron (e-e) and electron-hole (e-h) terms are equally important to the regime ($\Lambda < T_{co}$) where only the e-e term plays a role. In the low energy regime only the pairing interaction $V$ is marginally relevant, containing contributions from all renormalization group steps of the regime $\Lambda > T_{co}$. After diagonalization of $V_{\Lambda =T_{co}}$, we identify its most attractive eigenvalue $\lambda _{\min}$. At low filling, $\lambda _{\min}$ corresponds to the $B_2$ representation ($d_{xy}$ symmetry), while near half filling the strongest attraction occurs in the $B_1$ representation ($d_{x^2-y^2}$ symmetry). In the direction of the van Hove singularities, the order parameter shows peaks with increasing strength as one approaches half filling. Using the form of pairing and the structure of the renormalization group equations in the low energy regime, we give our interpretation of ARPES experiments trying to determine the symmetry of the order parameter in the Bi2212 high-$T_{c}$ compound.Comment: 24 pages (RevTeX) + 11 figures (the tex file appeared incomplete

Knight Shift Anomalies in Heavy Electron Materials

We calculate non-linear Knight Shift $K$ vs. susceptibility $\chi$ anomalies for Ce ions possessing local moments in metals. The ions are modeled with the Anderson Hamiltonian and studied within the non-crossing approximation (NCA). The $K-vs.- \chi$ non-linearity diminishes with decreasing Kondo temperature $T_0$ and nuclear spin- local moment separation. Treating the Ce ions as an incoherent array in CeSn$_3$, we find excellent agreement with the observed Sn $K(T)$ data.Comment: 4 pages, Revtex, 3 figures available upon request from [email protected]

Towards analytic description of a transition from weak to strong coupling regime in correlated electron systems. I. Systematic diagrammatic theory with two-particle Green functions

We analyze behavior of correlated electrons described by Hubbard-like models at intermediate and strong coupling. We show that with increasing interaction a pole in a generic two-particle Green function is approached. The pole signals metal-insulator transition at half filling and gives rise to a new vanishing ``Kondo'' scale causing breakdown of weak-coupling perturbation theory. To describe the critical behavior at the metal-insulator transition a novel, self-consistent diagrammatic technique with two-particle Green functions is developed. The theory is based on the linked-cluster expansion for the thermodynamic potential with electron-electron interaction as propagator. Parquet diagrams with a generating functional are derived. Numerical instabilities due to the metal-insulator transition are demonstrated on simplifications of the parquet algebra with ring and ladder series only. A stable numerical solution in the critical region is reached by factorization of singular terms via a low-frequency expansion in the vertex function. We stress the necessity for dynamical vertex renormalizations, missing in the simple approximations, in order to describe the critical, strong-coupling behavior correctly. We propose a simplification of the full parquet approximation by keeping only most divergent terms in the asymptotic strong-coupling region. A qualitatively new, feasible approximation suitable for the description of a transition from weak to strong coupling is obtained.Comment: 17 pages, 4 figures, REVTe

Self-Consistent Perturbation Theory for Thermodynamics of Magnetic Impurity Systems

Integral equations for thermodynamic quantities are derived in the framework of the non-crossing approximation (NCA). Entropy and specific heat of 4f contribution are calculated without numerical differentiations of thermodynamic potential. The formulation is applied to systems such as PrFe4P12 with singlet-triplet crystalline electric field (CEF) levels.Comment: 3 pages, 2 figures, proc. ASR-WYP-2005 (JAERI

Operator projection method applied to the single-particle Green's function in the Hubbard model

A new non-perturbative framework for many-body correlated systems is formulated by extending the operator projection method (OPM). This method offers a systematic expansion which enables us to project into the low-energy structure after extracting the higher-energy hierarchy. This method also opens a way to systematically take into account the effects of collective excitations. The Mott-Hubbard metal-insulator transition in the Hubbard model is studied by means of this projection beyond the second order by taking into account magnetic and charge fluctuations in the presence of the high-energy Mott-Hubbard structure. At half filling, the Mott-Hubbard gap is correctly eproduced between the separated two bands. Near half filling, a strongly renormalized low-energy single-particle excitations coexisting with the Mott-Hubbard bands are shown to appear. Signifcance of momentum-dependent self-energy in the results is stressed.Comment: 6 pages, final version to appear in J. Phys. Soc. Jp

Reduction of Tc due to Impurities in Cuprate Superconductors

In order to explain how impurities affect the unconventional superconductivity, we study non-magnetic impurity effect on the transition temperature using on-site U Hubbard model within a fluctuation exchange (FLEX) approximation. We find that in appearance, the reduction of Tc roughly coincides with the well-known Abrikosov-Gor'kov formula. This coincidence results from the cancellation between two effects; one is the reduction of attractive force due to randomness, and another is the reduction of the damping rate of quasi-particle arising from electron interaction. As another problem, we also study impurity effect on underdoped cuprate as the system showing pseudogap phenomena. To the aim, we adopt the pairing scenario for the pseudogap and discuss how pseudogap phenomena affect the reduction of Tc by impurities. We find that 'pseudogap breaking' by impurities plays the essential role in underdoped cuprate and suppresses the Tc reduction due to the superconducting (SC) fluctuation.Comment: 14 pages, 28 figures To be published in JPS