Quasiparticle anisotropy and pseudogap formation from the weak-coupling renormalization group point of view

Using the one-loop functional renormalization group technique we evaluate the self-energy in the weak-coupling regime of the 2D t-t' Hubbard model. At van Hove (vH) band fillings and at low temperatures the quasiparticle weight along the Fermi surface (FS) continuously vanishes on approaching the (pi,0) point where the quasiparticle concept is invalid. Away from vH band fillings the quasiparticle peak is formed inside an anisotropic pseudogap and the self-energy has the conventional Fermi-liquid characteristics near the Fermi level. The spectral weight of the quasiparticle features is reduced on parts of the FS between the near vicinity of hot spots and the FS points closest to (pi,0) and (0,pi).Comment: 4 pages, 4 figures, RevTe

First-principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: Dynamical Mean-field Theory

A recently developed dynamical mean-field theory in the iterated perturbation theory approximation was used as a basis for construction of the "first principles" calculation scheme for investigating electronic structure of strongly correlated electron systems. This scheme is based on Local Density Approximation (LDA) in the framework of the Linearized Muffin-Tin-Orbitals (LMTO) method. The classical example of the doped Mott-insulator La_{1-x}Sr_xTiO_3 was studied by the new method and the results showed qualitative improvement in agreement with experimental photoemission spectra.Comment: 11 pages, 3 Postscript figures, LaTeX, submit in Journal of Physics: Condensed Matte

A reliable Pade analytical continuation method based on a high accuracy symbolic computation algorithm

We critique a Pade analytic continuation method whereby a rational polynomial function is fit to a set of input points by means of a single matrix inversion. This procedure is accomplished to an extremely high accuracy using a novel symbolic computation algorithm. As an example of this method in action we apply it to the problem of determining the spectral function of a one-particle thermal Green's function known only at a finite number of Matsubara frequencies with two example self energies drawn from the T-matrix theory of the Hubbard model. We present a systematic analysis of the effects of error in the input points on the analytic continuation, and this leads us to propose a procedure to test quantitatively the reliability of the resulting continuation, thus eliminating the black magic label frequently attached to this procedure.Comment: 11 pages, 8 eps figs, revtex format; revised version includes reference to anonymous ftp site containing example codes (MapleVr5.1 worksheets) displaying the implementation of the algorithm, including the padematinv.m library packag

Dynamical Cluster Approximation Employing FLEX as a Cluster Solver

We employ the Dynamical Cluster Approximation (DCA) in conjunction with the Fluctuation Exchange Approximation (FLEX) to study the Hubbard model. The DCA is a technique to systematically restore the momentum conservation at the internal vertices of Feynman diagrams relinquished in the Dynamical Mean Field Approximation (DMFA). FLEX is a perturbative diagrammatic approach in which classes of Feynman diagrams are summed over analytically using geometric series. The FLEX is used as a tool to investigate the complementarity of the DCA and the finite size lattice technique with periodic boundary conditions by comparing their results for the Hubbard model. We also study the microscopic theory underlying the DCA in terms of compact (skeletal) and non-compact diagrammatic contributions to the thermodynamic potential independent of a specific model. The significant advantages of the DCA implementation in momentum space suggests the development of the same formalism for the frequency space. However, we show that such a formalism for the Matsubara frequencies at finite temperatures leads to acausal results and is not viable. However, a real frequency approach is shown to be feasible.Comment: 15 pages, 24 figures. Submitted to Physical Review B as a Regular Articl

Plasmon Lifetime in K: A Case Study of Correlated Electrons in Solids Amenable to Ab Initio Theory

On the basis of a new ab initio, all-electron response scheme, formulated within time-dependent density-functional theory, we solve the puzzle posed by the anomalous dispersion of the plasmon linewidth in K. The key damping mechanism is shown to be decay into particle-hole pairs involving empty states of d-symmetry. While the effect of many-particle correlations is small, the correlations built into the "final-state" -d-bands play an important, and novel, role ---which is related to the phase-space complexity associated with these flat bands. Our case study of plasmon lifetime in K illustrates the importance of ab initio paradigms for the study of excitations in correlated-electron systems.Comment: 12 pages, 4 figures, for html browsing see http://web.utk.edu/~weik

An electron correlation originated negative magnetoresistance in a system having a partly flat band

Inspired from an experimentally examined organic conductor, a novel mechanism for negative magnetoresistance is proposed for repulsively interacting electrons on a lattice whose band dispersion contains a flat portion (a flat bottom below a dispersive part here). When the Fermi level lies in the flat part, the electron correlation should cause ferromagnetic spin fluctuations to develop with an enhanced susceptibility. A relatively small magnetic field will then shift the majority-spin Fermi level to the dispersive part, resulting in a negative magnetoresistance. We have actually confirmed the idea by calculating the conductivity in magnetic fields, with the fluctuation exchange approximation, for the repulsive Hubbard model on a square lattice having a large second nearest-neighbor hopping.Comment: RevTex, 5 figures in Postscript, to be published in Phys. Rev.

Microscopic Study of Quantum Vortex-Glass Transition Field in Two-Dimensional Superconductors

The position of a field-tuned superconductor-insulator quantum transition occuring in disordered thin films is examined within the mean field approximation. Our calculation shows that the microscopic disorder-induced reduction of the quantum transition point found experimentally cannot be explained if the interplay between the disorder and an electron-electron repulsive interaction is ignored. This work is presented as a microscopic basis of an explanation (cond-mat/0105122) of resistive phenomena near the transition field.Comment: 16 pages, 5 figures. To appear in J.Phys.Soc.Jp

Quasiparticle Band Structure and Density Functional Theory: Single-Particle Excitations and Band Gaps in Lattice Models

We compare the quasiparticle band structure for a model insulator obtained from the fluctuation exchange approximation (FEA) with the eigenvalues of the corresponding density functional theory (DFT) and local density approximation (LDA). The discontinuity in the exchange-correlation potential for this model is small and the FEA and DFT band structures are in good agreement. In contrast to conventional wisdom, the LDA for this model overestimates the size of the band gap. We argue that this is a consequence of an FEA self-energy that is strongly frequency dependent, but essentially local.Comment: 8 pages, and 5 figure

A link between the spin fluctuation and Fermi surface in high T_C cuprates --- A consistent description within the single-band Hubbard model

A link between the spin fluctuation and the "fermiology" is explored for the single-band Hubbard model within the fluctuation exchange (FLEX) approximation. We show that the experimentally observed peak position of the spin structure in the high T_C cuprates can be understood from the model that reproduces the experimentally observed Fermi surface. In particular, both the variation of the incommensurability of the peak in the spin structure and the evolution of the Fermi surface with hole doping in La_{2-x}Sr_xCuO_4 may be understood with a second nearest neighbor hopping decreasing with hole doping.Comment: 5 pages, RevTeX, uses epsf.sty and multicol.st

Neutron scattering in a d_{x^2-y^2}-wave superconductor with strong impurity scattering and Coulomb correlations

We calculate the spin susceptibility at and below T_c for a d_{x^2-y^2}-wave superconductor with resonant impurity scattering and Coulomb correlations. Both the impurity scattering and the Coulomb correlations act to maintain peaks in the spin susceptibility, as a function of momentum, at the Brillouin zone edge. These peaks would otherwise be suppressed by the superconducting gap. The predicted amount of suppression of the spin susceptibility in the superconducting state compared to the normal state is in qualitative agreement with results from recent magnetic neutron scattering experiments on La_{1.86}Sr_{0.14}CuO_4 for momentum values at the zone edge and along the zone diagonal. The predicted peak widths in the superconducting state, however, are narrower than those in the normal state, a narrowing which has not been observed experimentally.Comment: 24 pages (12 tarred-compressed-uuencoded Postscript figures), REVTeX 3.0 with epsf macros, UCSBTH-94-1