Superconductivity in the two dimensional Hubbard Model.

Quasiparticle bands of the two-dimensional Hubbard model are calculated using the Roth two-pole approximation to the one particle Green's function. Excellent agreement is obtained with recent Monte Carlo calculations, including an anomalous volume of the Fermi surface near half-filling, which can possibly be explained in terms of a breakdown of Fermi liquid theory. The calculated bands are very flat around the (pi,0) points of the Brillouin zone in agreement with photoemission measurements of cuprate superconductors. With doping there is a shift in spectral weight from the upper band to the lower band. The Roth method is extended to deal with superconductivity within a four-pole approximation allowing electron-hole mixing. It is shown that triplet p-wave pairing never occurs. Singlet d_{x^2-y^2}-wave pairing is strongly favoured and optimal doping occurs when the van Hove singularity, corresponding to the flat band part, lies at the Fermi level. Nearest neighbour antiferromagnetic correlations play an important role in flattening the bands near the Fermi level and in favouring superconductivity. However the mechanism for superconductivity is a local one, in contrast to spin fluctuation exchange models. For reasonable values of the hopping parameter the transition temperature T_c is in the range 10-100K. The optimum doping delta_c lies between 0.14 and 0.25, depending on the ratio U/t. The gap equation has a BCS-like form and (2*Delta_{max})/(kT_c) ~ 4.Comment: REVTeX, 35 pages, including 19 PostScript figures numbered 1a to 11. Uses epsf.sty (included). Everything in uuencoded gz-compressed .tar file, (self-unpacking, see header). Submitted to Phys. Rev. B (24-2-95

Metal-insulator transition in a weakly interacting many-electron system with localized single-particle states

We consider low-temperature behavior of weakly interacting electrons in disordered conductors in the regime when all single-particle eigenstates are localized by the quenched disorder. We prove that in the absence of coupling of the electrons to any external bath dc electrical conductivity exactly vanishes as long as the temperatute $T$ does not exceed some finite value $T_c$. At the same time, it can be also proven that at high enough $T$ the conductivity is finite. These two statements imply that the system undergoes a finite temperature Metal-to-Insulator transition, which can be viewed as Anderson-like localization of many-body wave functions in the Fock space. Metallic and insulating states are not different from each other by any spatial or discrete symmetries. We formulate the effective Hamiltonian description of the system at low energies (of the order of the level spacing in the single-particle localization volume). In the metallic phase quantum Boltzmann equation is valid, allowing to find the kinetic coefficients. In the insulating phase, $T<T_c$, we use Feynmann diagram technique to determine the probability distribution function for quantum-mechanical transition rates. The probability of an escape rate from a given quantum state to be finite turns out to vanish in every order of the perturbation theory in electron-electron interaction. Thus, electron-electron interaction alone is unable to cause the relaxation and establish the thermal equilibrium. As soon as some weak coupling to a bath is turned on, conductivity becomes finite even in the insulating phase

Fano resonance in electronic transport through a quantum wire with a side-coupled quantum dot: X-boson treatment

The transport through a quantum wire with a side coupled quantum dot is studied. We use the X-boson treatment for the Anderson single impurity model in the limit of $U=\infty$. The conductance presents a minimum for values of T=0 in the crossover from mixed-valence to Kondo regime due to a destructive interference between the ballistic channel associated with the quantum wire and the quantum dot channel. We obtain the experimentally studied Fano behavior of the resonance. The conductance as a function of temperature exhibits a logarithmic and universal behavior, that agrees with recent experimental results.Comment: 6 pages, 10 eps figs., revtex

Charge and spin order in one-dimensional electron systems with long-range Coulomb interactions

We study a system of electrons interacting through long--range Coulomb forces on a one--dimensional lattice, by means of a variational ansatz which is the strong--coupling counterpart of the Gutzwiller wave function. Our aim is to describe the quantum analogue of Hubbard's classical ``generalized Wigner crystal''. We first analyse charge ordering in a system of spinless fermions, with particular attention to the effects of lattice commensurability. We argue that for a general (rational) number of electrons per site $n$ there are three regimes, depending on the relative strength $V$ of the long--range Coulomb interaction (as compared to the hopping amplitude $t$). For very large $V$ the quantum ground state differs little from Hubbard's classical solution, for intermediate to large values of $V$ we recover essentially the Wigner crystal of the continuum model, and for small $V$ the charge modulation amounts to a small--amplitude charge--density wave. We then include the spin degrees of freedom and show that in the Wigner crystal regimes (i.e. for large $V$) they are coupled by an antiferromagnetic kinetic exchange $J$, which turns out to be smaller than the energy scale governing the charge degrees of freedom. Our results shed new light on the insulating phases of organic quasi--1D compounds where the long--range part of the interaction is unscreened, and magnetic and charge orderings coexist at low temperatures.Comment: 11 pages, 7 figures, accepted for publication on Phys. Rev.

X-boson cumulant approach to the periodic Anderson model

The Periodic Anderson Model (PAM) can be studied in the infinite U limit by employing the Hubbard X operators to project out the unwanted states. We have already studied this problem employing the cumulant expansion with the hybridization as perturbation, but the probability conservation of the local states (completeness) is not usually satisfied when partial expansions like the Chain Approximation (CHA) are employed. Here we treat the problem by a technique inspired in the mean field approximation of Coleman's slave-bosons method, and we obtain a description that avoids the unwanted phase transition that appears in the mean-field slave-boson method both when the chemical potential is greater than the localized level Ef at low temperatures (T) and for all parameters at intermediate T.Comment: Submited to Physical Review B 14 pages, 17 eps figures inserted in the tex

The Numerical Renormalization Group Method for correlated electrons

The Numerical Renormalization Group method (NRG) has been developed by Wilson in the 1970's to investigate the Kondo problem. The NRG allows the non-perturbative calculation of static and dynamic properties for a variety of impurity models. In addition, this method has been recently generalized to lattice models within the Dynamical Mean Field Theory. This paper gives a brief historical overview of the development of the NRG and discusses its application to the Hubbard model; in particular the results for the Mott metal-insulator transition at low temperatures.Comment: 14 pages, 7 eps-figures include

Modeling the actinides with disordered local moments

A first-principles disordered local moment (DLM) picture within the local-spin-density and coherent potential approximations (LSDA+CPA) of the actinides is presented. The parameter free theory gives an accurate description of bond lengths and bulk modulus. The case of $\delta$-Pu is studied in particular and the calculated density of states is compared to data from photo-electron spectroscopy. The relation between the DLM description, the dynamical mean field approach and spin-polarized magnetically ordered modeling is discussed.Comment: 6 pages, 4 figure

Dynamical Symmetry Breaking in Spaces with Constant Negative Curvature

By using the Nambu-Jona-Lasinio model, we study dynamical symmetry breaking in spaces with constant negative curvature. We show that the physical reason for zero value of critical coupling value $g_c = 0$ in these spaces is connected with the effective reduction of dimension of spacetime $1 + D \to 1 + 1$ in the infrared region, which takes place for any dimension $1 + D$. Since the Laplace-Beltrami operator has a gap in spaces with constant negative curvature, such an effective reduction for scalar fields is absent and there are not problems with radiative corrections due to scalar fields. Therefore, dynamical symmetry breaking with the effective reduction of the dimension of spacetime for fermions in the infrared region is consistent with the Mermin-Wagner-Coleman theorem, which forbids spontaneous symmetry breaking in (1 + 1)-dimensional spacetime.Comment: minor text changes, added new reference

Influence of uncorrelated overlayers on the magnetism in thin itinerant-electron films

The influence of uncorrelated (nonmagnetic) overlayers on the magnetic properties of thin itinerant-electron films is investigated within the single-band Hubbard model. The Coulomb correlation between the electrons in the ferromagnetic layers is treated by using the spectral density approach (SDA). It is found that the presence of nonmagnetic layers has a strong effect on the magnetic properties of thin films. The Curie temperatures of very thin films are modified by the uncorrelated overlayers. The quasiparticle density of states is used to analyze the results. In addition, the coupling between the ferromagnetic layers and the nonmagnetic layers is discussed in detail. The coupling depends on the band occupation of the nonmagnetic layers, while it is almost independent of the number of the nonmagnetic layers. The induced polarization in the nonmagnetic layers shows a long-range decreasing oscillatory behavior and it depends on the coupling between ferromagnetic and nonmagnetic layers.Comment: 9 pages, RevTex, 6 figures, for related work see: http://orion.physik.hu-berlin.d

Charge ordering and antiferromagnetic exchange in layered molecular crystals of the theta type

We consider the electronic properties of layered molecular crystals of the type theta-D$_2$A, where A is an anion and D is a donor molecule such as BEDT-TTF [where BEDT-TTF is bis-(ethylenedithia-tetrathiafulvalene)] which is arranged in the theta type pattern within the layers. We argue that the simplest strongly correlated electron model that can describe the rich phase diagram of these materials is the extended Hubbard model on the square lattice at a quarter filling. In the limit where the Coulomb repulsion on a single site is large, the nearest-neighbour Coulomb repulsion, V, plays a crucial role. When V is much larger than the intermolecular hopping integral t the ground state is an insulator with charge ordering. In this phase antiferromagnetism arises due to a novel fourth-order superexchange process around a plaquette on the square lattice. We argue that the charge ordered phase is destroyed below a critical non-zero value V, of the order of t. Slave boson theory is used to explicitly demonstrate this for the SU(N) generalisation of the model, in the large N limit. We also discuss the relevance of the model to the all-organic family beta''-(BEDT-TTF)$_2$SF$_5$YSO$_3$ where Y = CH$_2$CF$_2$, CH$_2$, CHF.Comment: 15 pages, 6 eps figure