The Isotope Effect in d-Wave Superconductors

Based on recently proposed anti-ferromagnetic spin fluctuation exchange models for $d_{x^2-y^2}$-superconductors, we show that coupling to harmonic phonons {\it{cannot}} account for the observed isotope effect in the cuprate high-$T_c$ materials, whereas coupling to strongly anharmonic multiple-well lattice tunneling modes {\it{can}}. Our results thus point towards a strongly enhanced {\it{effective}} electron-phonon coupling and a possible break-down of Migdal-Eliashberg theory in the cuprates.Comment: 12 pages + 2 figures, Postscript files, all uuencoded Phys. Rev. Lett. (1995, to be published

Screened-interaction expansion for the Hubbard model and determination of the quantum Monte Carlo Fermi surface

We develop a systematic self-consistent perturbative expansion for the self energy of Hubbard-like models. The interaction lines in the Feynman diagrams are dynamically screened by the charge fluctuations in the system. Although the formal expansion is exact-assuming that the model under the study is perturbative-only if diagrams to all orders are included, it is shown that for large-on-site-Coulomb-repulsion-U systems weak-coupling expansions to a few orders may already converge. We show that the screened interaction for the large-U system can be vanishingly small at a certain intermediate electron filling; and it is found that our approximation for the imaginary part of the one-particle self energy agrees well with the QMC results in the low energy scales at this particular filling. But, the usefulness of the approximation is hindered by the fact that it has the incorrect filling dependence when the filling deviates from this value. We also calculate the exact QMC Fermi surfaces for the two-dimensional (2-D) Hubbard model for several fillings. Our results near half filling show extreme violation of the concepts of the band theory; in fact, instead of growing, Fermi surface vanishes when doped toward the half-filled Mott-Hubbard insulator. Sufficiently away from half filling, noninteracting-like Fermi surfaces are recovered. These results combined with the Luttinger theorem might show that diagrammatic expansions for the nearly-half-filled Hubbard model are unlikely to be possible; however, the nonperturbative part of the solution seems to be less important as the filling gradually moves away from one half. Results for the 2-D one-band Hubbard model for several hole dopings are presented. Implications of this study for the high-temperature superconductors are also discussed.Comment: 11 pages, 12 eps figures embedded, REVTeX, submitted to Phys. Rev. B; (v2) minor revisions, scheduled for publication on November 1

Superconducting instability in the Holstein-Hubbard model: A numerical renormalization group study

We have studied the d-wave pairing-instability in the two-dimensional Holstein-Hubbard model at the level of a full fluctuation exchange approximation which treats both Coulomb and electron-phonon (EP) interaction diagrammatically on an equal footing. A generalized numerical renormalization group technique has been developed to solve the resulting self-consistent field equations. The $d$-wave superconducting phase diagram shows an optimal T_c at electron concentration ~ 0.9 for the purely electronic Hubbard system. The EP interaction suppresses the d-wave T_c which drops to zero when the phonon-mediated on-site attraction $U_p$ becomes comparable to the on-site Coulomb repulsion $U$. The isotope exponent $\alpha$ is negative in this model and small compared to the classical BCS value $\alpha_{BCS} = 1/2$ or compared to typical observed values in non-optimally doped cuprate superconductors.Comment: 4 pages RevTeX + 3 PS figures include

An alternative approach for the dynamics of polarons in one dimension

We developed a new method based on functional integration to treat the dynamics of polarons in one-dimensional systems. We treat the acoustical and the optical case in an unified manner, showing their differences and similarities. The mobility and diffusion coefficients are calculated in the Markovian approximation in the strong coupling limit.Comment: 57 page

Raman Response in Doped Antiferromagnets

The resonant part of the $B_{1g}$ electronic Raman scattering response is calculated within the $t-J$ model on a planar lattice as a function of temperature and hole doping, using a finite-temperature diagonalization method for small systems. Results, directly applicable to experiments on cuprates, reveal on doping a very pronounced increase of the width of the two-magnon Raman peak, accompanied by a decrease of the total intensity. At the same time the peak position does not shift substantially in the underdoped regime.Comment: 11 pages revtex, 3 postscript figures. Minor corrections and changes from previous version, to be published in Phys. Rev.

Spectral weight function for the half-filled Hubbard model: a singular value decomposition approach

The singular value decomposition technique is used to reconstruct the electronic spectral weight function for a half-filled Hubbard model with on-site repulsion $U=4t$ from Quantum Monte Carlo data. A two-band structure for the single-particle excitation spectrum is found to persist as the lattice size exceeds the spin-spin correlation length. The observed bands are flat in the vicinity of the $(0,\pi),(\pi,0)$ points in the Brillouin zone, in accordance with experimental data for high-temperature superconducting compounds.Comment: 4 pages, Revtex

Numerical Calculations of the B1g Raman Spectrum of the Two-Dimensional Heisenberg Model

The B1g Raman spectrum of the two-dimensional S=1/2 Heisenberg model is discussed within Loudon-Fleury theory at both zero and finite temperature. The exact T=0 spectrum for lattices with up to 6*6 sites is computed using Lanczos exact diagonalization. A quantum Monte Carlo (QMC) method is used to calculate the corresponding imaginary-time correlation function and its first two derivatives for lattices with up to 16*16 spins. The imaginary-time data is continued to real frequency using the maximum-entropy method, as well as a fit based on spinwave theory. The numerical results are compared with spinwave calculations for finite lattices. There is a surprisingly large change in the exact spectrum going from 4*4 to 6*6 sites. In the former case there is a single dominant two-magnon peak at frequency w/J appr. 3.0, whereas in the latter case there are two approximately equal-sized peaks at w/J appr. 2.7 and 3.9. This is in good qualitative agreement with the spinwave calculations including two-magnon processes on the same lattices. Both the Lanczos and the QMC results indicate that the actual infinite-size two-magnon profile is broader than the narrow peak obtained in spinwave theory, but the positions of the maxima agree to within a few percent. The higher-order contributions present in the numerical results are merged with the two-magnon profile and extend up to frequencies w/J appr. 7. The first three frequency cumulants of the spectrum are in excellent agreement with results previously obtained from a series expansion around the Ising limit. Typical experimental B1g$ spectra for La2CuO4 are only slightly broader than what we obtain here. The exchange constant extracted from the peak position is J appr. 1400K, in good agreement with values obtained from neutron scattering and NMR experiments.Comment: 15 pages, Revtex, 13 PostScript figure

Role of Van Hove Singularities and Momentum Space Structure in High-Temperature Superconductivity

There is a great deal of interest in attributing the high critical temperatures of the cuprates to either the proximity of the Fermi level to a van Hove singularity or to structure of the superconducting pairing potential in momentum space far from the Fermi surface. We examine these ideas by calculating the critical temperature Tc for model Einstein-phonon- and spin-fluctuation-mediated superconductors within both the standard, Fermi-surface-restricted Eliashberg theory and the exact mean field theory, which accounts for the full momentum structure of the pairing potential and the energy dependence of the density of states. By using two models of spin-fluctuation-mediated pairing in the cuprates, we demonstrate that our results are independent of the details of the dynamical susceptibility, which is taken to be the pairing potential. We also compare these two models against available neutron scattering data, since these data provide the most direct constraints on the susceptibility. We conclude that the van Hove singularity does not drastically alter Tc from its value when the density of states is constant and that the effect of momentum structure is significant but secondary in importance to that of the energy dependence in the density of states.Comment: 23 pages, 6 figures upon request, revtex version 2, vHs-

Possible Odd-Frequency Superconductivity in Strong-Coupling Electron-Phonon Systems

A possibility of the odd-frequency pairing in the strong-coupling electron-phonon systems is discussed. Using the Holstein-Hubbard model, we demonstrate that the anomalously soft Einstein mode with the frequency $\omega_{\rm E}\ll\omega_{c}$ ($\omega_{c}$ is the order of the renormalized bandwidth) mediates the s-wave odd-frequency triplet pairing against the ordinary even-frequency singlet pairing. It is necessary for the emergence of the odd-frequency pairing that the pairing interaction is strongly retarded as well as the strong coupling, since the pairing interaction for the odd-frequency pairing is effective only in the diagonal scattering channel, $(\omega_{n},-\omega_{n})\to(\omega_{n'},-\omega_{n'})$ with $\omega_{n'}=\omega_{n}\gtrsim \omega_{\rm E}$. Namely, the odd-frequency superconductivity is realized in the opposite limit of the original BCS theory. The Ginzburg-Landau analysis in the strong-coupling region shows that the specific-heat discontinuity and the slope of the temperature dependence of the superfluid density can be quite small as compared with the BCS values, depending on the ratio of the transition temperature $T_{c}$ and $\omega_{c}$.Comment: 6 pages, 7 figures, submitted to J. Phys. Soc. Jp