Spectral function of the 1D Hubbard model in the U→+∞U\to +\infty limit

We show that the one-particle spectral functions of the one-dimensional Hubbard model diverge at the Fermi energy like $|\omega-\varepsilon_F|^{-3/8}$ in the $U\to +\infty$ limit. The Luttinger liquid behaviour $|\omega-\varepsilon_F|^\alpha$, where $\alpha \to 1/8$ as $U\to +\infty$, should be limited to $|\omega-\varepsilon_F| \sim t^2/U$ (for $U$ large but finite), which shrinks to a single point, $\omega=\varepsilon_F$,in that limit. The consequences for the observation of the Luttinger liquid behaviour in photoemission and inverse photoemission experiments are discussed.Comment: 4 pages, RevTeX, 2 figures on reques

Hubbard model versus t-J model: The one-particle spectrum

The origin of the apparent discrepancies between the one-particle spectra of the Hubbard and t-J models is revealed: Wavefunction corrections, in addition to the three-site terms, should supplement the bare t-J. In this way a quantitative agreement between the two models is obtained, even for the intermediate-$U$ values appropriate for the high-Tc cuprate superconductors. Numerical results for clusters of up to 20 sites are presented. The momentum dependence of the observed intensities in the photoemission spectra of Sr2CuO2Cl2 are well described by this complete strong-coupling approach.Comment: 4 two-column RevTeX pages, including 4 Postscript figures. Uses epsf. Accepted for publication in Physical Review B, Rapid Communicatio

Dynamical density-density correlations in one-dimensional Mott insulators

The dynamical density-density correlation function is calculated for the one-dimensional, half-filled Hubbard model extended with nearest neighbor repulsion using the Lanczos algorithm for finite size systems and analytically for large on site repulsion compared to hopping amplitudes. At the zone boundary an excitonic feature exists for any finite nearest neighbor repulsion and exhausts most of the spectral weight, even for parameters where no exciton is visible at zero momentum.Comment: 5 pages, REVTeX, epsf, 3 postscript figure

Anomalous high energy dispersion in photoemission spectra from insulating cuprates

Angle resolved photoelectron spectroscopic measurements have been performed on an insulating cuprate Ca_2CuO_2Cl_2. High resolution data taken along the \Gamma to (pi,pi) cut show an additional dispersive feature that merges with the known dispersion of the lowest binding energy feature, which follows the usual strongly renormalized dispersion of ~0.35 eV. This higher energy part reveals a dispersion that is very close to the unrenormalized band predicted by band theory. A transfer of spectral weight from the low energy feature to the high energy feature is observed as the \Gamma point is approached. By comparing with theoretical calculations the high energy feature observed here demonstrates that the incoherent portion of the spectral function has significant structure in momentum space due to the presence of various energy scales.Comment: 5 pages, 3 figure

Consistent low-energy reduction of the three-band model for copper oxides with O-O hopping to the effective t-J model

A full three-band model for the CuO$_{2}$ plane with inclusion of all essential interactions - Cu-O and O-O hopping, repulsion at the copper and oxygen and between them - is considered. A general procedure of the low-energy reduction of the primary Hamiltonian to the Hamiltonian of the generalized $t$-$t'$-$J$ model is developed. An important role of the direct O-O hopping is discussed. Parameters of the effective low-energy model (the hopping integral, the band position and the superexchange constant $J$ are calculated. An analysis of the obtained data shows that the experimental value of $J$ fixes the charge transfer energy $\Delta =(\epsilon_{p}-\epsilon_{d})$ in a narrow region of energies.Comment: 32 pp. (LATEX), two figures (PostScript) appende

Anisotropic Spin Hamiltonians due to Spin-Orbit and Coulomb Exchange Interactions

This paper contains the details of Phys. Rev. Lett. 73, 2919 (1994) and, to a lesser extent, Phys. Rev. Lett. 72, 3710 (1994). We treat a Hubbard model which includes all the 3d states of the Cu ions and the 2p states of the O ions. We also include spin-orbit interactions, hopping between ground and excited crystal field states of the Cu ions, and rather general Coulomb interactions. Our analytic results for the spin Hamiltonian, H, are corroborated by numerical evaluations of the energy splitting of the ground manifold for two holes on either a pair of Cu ions or a Cu-O-Cu complex. In the tetragonal symmetry case and for the model considered, we prove that H is rotationally invariant in the absence of Coulomb exchange. When Coulomb exchange is present, each bond Hamiltonian has full biaxial anisotropy, as expected for this symmetry. For lower symmetry situations, the single bond spin Hamiltonian is anisotropic at order t**6 for constant U and at order t**2 for nonconstant U. (Constant U means that the Coulomb interaction between orbitals does not depend on which orbitals are involved.)Comment: 50 pages, ILATEX Version 2.09 <13 Jun 1989

Averaging kernels for DOAS total-column satellite retrievals

The Differential Optical Absorption Spectroscopy (DOAS) method is used extensively to retrieve total column amounts of trace gases based on UV-visible measurements of satellite spectrometers, such as ERS-2 GOME. In practice the sensitivity of the instrument to the tracer density is strongly height dependent, especially in the troposphere. The resulting tracer profile dependence may introduce large systematic errors in the retrieved columns that are difficult to quantify without proper additional information, as provided by the averaging kernel (AK). In this paper we discuss the DOAS retrieval method in the context of the general retrieval theory as developed by Rodgers. An expression is derived for the DOAS AK for optically thin absorbers. It is shown that the comparison with 3D chemistry-transport models and independent profile measurements, based on averaging kernels, is no longer influenced by errors resulting from a priori profile assumptions. The availability of averaging kernel information as part of the total column retrieval product is important for the interpretation of the observations, and for applications like chemical data assimilation and detailed satellite validation studies