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

d_{x^2-y^2} Symmetry and the Pairing Mechanism

An important question is if the gap in the high temperature cuprates has d_{x^2-y^2} symmetry, what does that tell us about the underlying interaction responsible for pairing. Here we explore this by determining how three different types of electron-phonon interactions affect the d_{x^2-y^2} pairing found within an RPA treatment of the 2D Hubbard model. These results imply that interactions which become more positive as the momentum transfer increases favor d_{x^2-y^2} pairing in a nearly half-filled band.Comment: 9 pages and 2 eps figs, uses revtex with epsf, in press, PR

Berry phases and pairing symmetry in Holstein-Hubbard polaron systems

We study the tunneling dynamics of dopant-induced hole polarons which are self-localized by electron-phonon coupling in a two-dimensional antiferro- magnet. Our treatment is based on a path integral formulation of the adia- batic approximation, combined with many-body tight-binding, instanton, con- strained lattice dynamics, and many-body exact diagonalization techniques. Our results are mainly based on the Holstein-$tJ$ and, for comparison, on the Holstein-Hubbard model. We also study effects of 2nd neighbor hopping and long-range electron-electron Coulomb repulsion. The polaron tunneling dynamics is mapped onto an effective low-energy Hamiltonian which takes the form of a fermion tight-binding model with occupancy dependent, predominant- ly 2nd and 3rd neighbor tunneling matrix elements, excluded double occupan- cy, and an effective intersite charge interactions. Antiferromagnetic spin correlations in the original many-electron Hamiltonian are reflected by an attractive contribution to the 1st neighbor charge interaction and by Berry phase factors which determine the signs of effective polaron tunneling ma- trix elements. In the two-polaron case, these phase factors lead to polaron pair wave functions of either $d_{x^2-y^2}$-wave symmetry or p-wave symme- try with zero and nonzero total pair momentum, respectively. Implications for the doping dependent isotope effect, pseudo-gap and Tc of a superconduc- ting polaron pair condensate are discussed/compared to observed in cuprates.Comment: 23 pages, revtex, 13 ps figure

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

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

Experimental study of excited states of 62{}^{62}Ni via one-neutron (d,p)(d,p) transfer up to the neutron-separation threshold and characteristics of the pygmy dipole resonance states

The degree of collectivity of the Pygmy Dipole Resonance (PDR) is an open question. Recently, Ries {\it et al.} have suggested the onset of the PDR beyond $N=28$ based on the observation of a significant $E1$ strength increase in the Cr isotopes and proposed that the PDR has its origin in a few-nucleon effect. Earlier, Inakura {\it et al.} had predicted by performing systematic calculations using the random-phase approximation (RPA) with the Skyrme functional SkM* that the $E1$ strength of the PDR strongly depends on the position of the Fermi level and that it displays a clear correlation with the occupation of orbits with orbital angular momenta less than $3\hbar$ $(l \leq 2)$. To further investigate the microscopic structures causing the possible formation of a PDR beyond the $N=28$ neutron shell closure, we performed a $^{61}$Ni$(d,p){}^{62}$Ni experiment at the John D. Fox Superconducting Linear Accelerator Laboratory of Florida State University. To determine the angular momentum transfer populating possible $J^{\pi} = 1^-$ states and other excited states of ${}^{62}$Ni, angular distributions and associated single-neutron transfer cross sections were measured with the Super-Enge Split-Pole Spectrograph. A number of $J^{\pi} = 1^-$ states were observed below the neutron-separation threshold after being populated through $l=2$ angular momentum transfers. A comparison to available $(\gamma,\gamma')$ data for ${}^{58,60}$Ni provides evidence that the $B(E1)$ strength shifts further down in energy. The $(d,p)$ data clearly prove that $l=0$ strength, i.e., the neutron $(2p_{3/2})^{-1}(3s_{1/2})^{+1}$ one-particle-one-hole configuration plays only a minor role for $1^-$ states below the neutron-separation threshold in ${}^{62}$Ni.Comment: 15 pages, 8 figures, accepted for publication in Physical Review

Pairing Correlations on t-U-J Ladders

Pairing correlations on generalized t-U-J two-leg ladders are reported. We find that the pairing correlations on the usual t-U Hubbard ladder are significantly enhanced by the addition of a nearest-neighbor exchange interaction J. Likewise, these correlations are also enhanced for the t-J model when the onsite Coulomb interaction is reduced from infinity. Moreover, the pairing correlations are larger on a t-U-J ladder than on a t-Jeff ladder in which Jeff has been adjusted so that the two models have the same spin gap at half-filling. This enhancement of the pairing correlations is associated with an increase in the pair-binding energy and the pair mobility in the t-U-J model and point to the importance of the charge transfer nature of the cuprate systems

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.

Pairing Correlations in a Generalized Hubbard Model for the Cuprates

Using numerical diagonalization of a 4x4 cluster, we calculate on-site s, extended s and d pairing correlation functions (PCF) in an effective generalized Hubbard model for the cuprates, with nearest-neighbor correlated hopping and next nearest-neighbor hopping t'. The vertex contributions (VC) to the PCF are significantly enhanced, relative to the t-t'-U model. The behavior of the PCF and their VC, and signatures of anomalous flux quantization, indicate superconductivity in the d-wave channel for moderate doping and in the s-wave channel for high doping and small U.Comment: 5 pages, 5 figure