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

Temperature dependent band structure of the Kondo insulator

We present a Qantum Monte Carlo (QMC) study of the temperature dependent dynamics of the Kondo insulator. Working at the so-called symmetrical point allows to perform minus-sign free QMC simulations and thus reach temperatures of less than 1% of the conduction electron bandwidth. Study of the temperature dependence of the single particle Green's function and dynamical spin correlation function shows a surprisingly intricate low temperature band structure and gives evidence for two characteristic temperatures, which we identify with the Kondo and coherence temperature, respectively. In particular, the data show a temperature induced metal-insulator transition at the coherence temperature.Comment: RevTex-file, 4 PRB pages with 4 eps figures. Hardcopies of figures (or the entire manuscript) can be obtained by e-mail request to: [email protected]

Kink Structure in the Quasiparticle Band of Doped Hubbard Systems

By making use of the self-consistent projection operator method with high-momentum and high-energy resolutions, we find a kink structure in the quasiparticle excitation spectrum of the two-dimensional Hubbard model in the underdoped regime. The kink is caused by a mixing between the quasiparticle state and excitations with short-range antiferromagnetic order. We suggest that this might be the origin of the strong concentration dependence of the 'kink' found in La_{2-x}Sr_{x}CuO_{4} (x=0.03-0.07).Comment: 3 pages, 4 figures. to be published in J. Phys. Soc. Jpn., Vol. 74, No. 9, September 15, 200

Nonlocal Excitations and 1/8 Singularity in Cuprates

Momentum-dependent excitation spectra of the two-dimensional Hubbard model on the square lattice have been investigated at zero temperature on the basis of the full self-consistent projection operator method in order to clarify nonlocal effects of electron correlations on the spectra. It is found that intersite antiferromagnetic correlations cause shadow bands and enhance the Mott-Hubbard splittings near the half-filling. Furthermore nonlocal excitations are shown to move the critical doping concentration $\delta^{\ast}_{h}$, at which the singular quasiparticle peak is located just on the Fermi level, from $\delta^{\ast}_{h}=0.153$ (the single-site value) to $\delta^{\ast}_{h}=0.123$. The latter suggests the occurance of an instability such as the stripe at $\delta^{\ast}_{h}=1/8$.Comment: 4 pages, 5 figures; to be published in the Journal of Korean Physical Society (ICM12

Kondo screening and exhaustion in the periodic Anderson model

We investigate the paramagnetic periodic Anderson model using the dynamical mean-field theory in combination with the modified perturbation theory which interpolates between the weak and strong coupling limits. For the symmetric PAM, the ground state is always a singlet state. However, as function of the hybridization strength, a crossover from collective to local Kondo screening is found. Reducing the number of conduction electrons, the local Kondo singlets remain stable. The unpaired f-electrons dominate the physics of the system. For very low conduction electron densities, a large increase of the effective mass of the quasiparticles is visible, which is interpreted as the approach of the Mott-Hubbard transition.Comment: 10 pages, 8 figures, accepted by Phys. Rev.

Electron-phonon vertex in the two-dimensional one-band Hubbard model

Using quantum Monte Carlo techniques, we study the effects of electronic correlations on the effective electron-phonon (el-ph) coupling in a two-dimensional one-band Hubbard model. We consider a momentum-independent bare ionic el-ph coupling. In the weak- and intermediate-correlation regimes, we find that the on-site Coulomb interaction $U$ acts to effectively suppress the ionic el-ph coupling at all electron- and phonon- momenta. In this regime, our numerical simulations are in good agreement with the results of perturbation theory to order $U^2$. However, entering the strong-correlation regime, we find that the forward scattering process stops decreasing and begins to substantially increase as a function of $U$, leading to an effective el-ph coupling which is peaked in the forward direction. Whereas at weak and intermediate Coulomb interactions, screening is the dominant correlation effect suppressing the el-ph coupling, at larger $U$ values irreducible vertex corrections become more important and give rise to this increase. These vertex corrections depend crucially on the renormalized electronic structure of the strongly correlated system.Comment: 5 pages, 4 eps-figures, minor change

Dynamic correlations in doped 1D Kondo insulator: Finite-T DMRG study

The finite-T DMRG method is applied to the one-dimensional Kondo lattice model to calculate dynamic correlation functions. Dynamic spin and charge correlations, S_f(omega), S_c(omega), and N_c(omega), and quasiparticle density of states rho(omega) are calculated in the paramagnetic metallic phase for various temperatures and hole densities. Near half filling, it is shown that a pseudogap grows in these dynamic correlation functions below the crossover temperature characterized by the spin gap at half filling. A sharp peak at omega=0 evolves at low temperatures in S_f(omega) and N_c(omega). This may be an evidence of the formation of the collective excitations, and this confirms that the metallic phase is a Tomonaga-Luttinger liquid in the low temperature limit.Comment: 5 pages, 6 Postscript figures, REVTe