Deriving the one-electron Spectral Function for the 1D Hubbard Model

This pre-print deals with the one dimensional Hubbard model, as described by the Pseudofermion Dynamical Theory (PDT), with the purpose of (1) deriving a novel expression for the one electron spectral function for all values of the on-site repulsion $U/t$ and filling $n \in (0,1)$, at vanishing magnetisation $m \rightarrow 0$, and (2) discover how to correctly compare the results originating from two different theoretical frameworks in the $U/t \rightarrow \infty$ limit, as a first-test of the novel expressions obtained in this paper. Thus, an exact expression of the spectral function is obtained, which is furthermore successfully compared with previously known results in the $U \rightarrow \infty$ limit. Following the PDT, the expression for the one electron spectral function factorises into a spin part and a charge part for all values of the on-site repulsion $U/t$, where the dynamical quantum objects are spin zero and $\eta$-spin (charge) zero singlet pairs of so-called rotated electrons, which in turn are obtained from the original electrons by a unitary transformation. The spectral function is exemplified for $U/t = 400$, with the purpose of comparing it with the same function obtained by other authors (and other means) in the $U \rightarrow \infty$ limit. The main pillars of the PDT is presented in a summarised form. For example, we will only be interested in excited energy eigenstates which originate the most significant singular features of the spectral map in the $(k,\omega)$ plane, safely ignoring higher order contributions. Even though emphasis is given on step-by-step derivations where necessary, derivations that have been done elsewhere and/or do not notably contribute to the physical understanding, are sometimes avoided. Therefore, references for further study are given throughout the paper.Comment: 27 pages, 9 figures. version-edit: title page now contains correct contact informatio

Dynamical Functions of a 1D Correlated Quantum Liquid

We extend to initial ground states with zero spin density m = 0 the expressions provided by the pseudofermion dynamical theory (PDT) for the finite-energy one- and two-electron spectral-weight distributions of a one-dimensional (1D) correlated metal with on-site particle-particle repulsion. The spectral-function expressions derived in this paper were used in recent successful and detailed theoretical studies of the finite-energy singular features in photoemission of the organic compound tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) metallic phase. Our studies take into account spectral contributions from types of microscopic processes that do not occur for finite values of the spin density. Expressions for the spectral functions in the vicinity of the singular border lines which also appear in the TTF- TCNQ spectral-weight distribution are derived. In addition, the PDT expressions are generalized for electronic densities in the vicinity of half filling. Further details on the processes involved in the applications to TTF-TCNQ are reported. Our results are useful for the further understanding of the unusual spectral properties observed in low-dimensional organic metals and also provide expressions for the one- and two-atom spectral functions of a correlated quantum system of ultracold fermionic atoms in a 1D optical lattice with on-site two-atom repulsion

Scattering mechanisms and spectral properties of the one-dimensional Hubbard model

It is found that the finite-energy spectral properties of the one-dimensional Hubbard model are controlled by the scattering of charged $\eta$-spin-zero $2\nu$-holon composite objects, spin-zero $2\nu$-spinon composite objects, and charged $\eta$-spin-less and spin-less objects, rather than by the scattering of independent $\eta$-spin 1/2 holons and spin 1/2 spinons. Here $\nu =1,2,...$. The corresponding $S$ matrix is calculated and its relation to the spectral properties is clarified.Comment: 8 pages, no figure

The TTF finite-energy spectral features in photoemission of TTF-TCNQ: The Hubbard-chain description

A dynamical theory which accounts for all microscopic one-electron processes is used to study the spectral function of the 1D Hubbard model for the whole $(k, \omega)$-plane, beyond previous studies which focused on the weight distribution in the vicinity of the singular branch lines only. While our predictions agree with those of the latter studies concerning the tetracyanoquinodimethane (TCNQ) related singular features in photoemission of the organic compound tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) metallic phase, the generalized theory also leads to quantitative agreement concerning the tetrathiafulvalene (TTF) related finite-energy spectral features, which are found to correspond to a value of the on-site repulsion $U$ larger than for TCNQ. Our study reveals the microscopic mechanisms behind the unusual spectral features of TTF-TCNQ and provides a good overall description of those features for the whole $(k, \omega)$-plane.Comment: To appear in Journal of Physics: Condensed Matte

Electron-electron interaction effects on the photophysics of metallic single-walled carbon nanotubes

Single-walled carbon nanotubes are strongly correlated systems with large Coulomb repulsion between two electrons occupying the same $p_z$ orbital. Within a molecular Hamiltonian appropriate for correlated $\pi$-electron systems, we show that optical excitations polarized parallel to the nanotube axes in the so-called metallic single-walled carbon nanotubes are to excitons. Our calculated absolute exciton energies in twelve different metallic single-walled carbon nanotubes, with diameters in the range 0.8 - 1.4 nm, are in nearly quantitative agreement with experimental results. We have also calculated the absorption spectrum for the (21,21) single-walled carbon nanotube in the E$_{22}$ region. Our calculated spectrum gives an excellent fit to the experimental absorption spectrum. In all cases our calculated exciton binding energies are only slightly smaller than those of semiconducting nanotubes with comparable diameters, in contradiction to results obtained within the {\it ab initio} approach, which predicts much smaller binding energies. We ascribe this difference to the difficulty of determining the behavior of systems with strong on-site Coulomb interactions within theories based on the density functional approach. As in the semiconducting nanotubes we predict in the metallic nanotubes a two-photon exciton above the lowest longitudinally polarized exciton that can be detected by ultrafast pump-probe spectroscopy. We also predict a subgap absorption polarized perpendicular to the nanotube axes below the lowest longitudinal exciton, blueshifted from the exact midgap by electron-electron interactions

Tracking spin and charge with spectroscopy in spin-polarised 1D systems

We calculate the spectral function of a one-dimensional strongly interacting chain of fermions, where the response can be well understood in terms of spinon and holon excitations. Upon increasing the spin imbalance between the spin species, we observe the single-electron response of the fully polarised system to emanate from the holon peak while the spinon response vanishes. For experimental setups that probe one-dimensional properties, we propose this method as an additional generic tool to aid the identification of spectral structures, e.g. in ARPES measurements. We show that this applies even to trapped systems having cold atomic gas experiments in mind.Comment: 5 pages, 4 figure

Spectral microscopic mechanisms and quantum phase transitions in a 1D correlated problem

In this paper we study the dominant microscopic processes that generate nearly the whole one-electron removal and addition spectral weight of the one-dimensional Hubbard model for all values of the on-site repulsion $U$. We find that for the doped Mott-Hubbard insulator there is a competition between the microscopic processes that generate the one-electron upper-Hubbard band spectral-weight distributions of the Mott-Hubbard insulating phase and finite-doping-concentration metallic phase, respectively. The spectral-weight distributions generated by the non-perturbative processes studied here are shown elsewhere to agree quantitatively for the whole momentum and energy bandwidth with the peak dispersions observed by angle-resolved photoelectron spectroscopy in quasi-one-dimensional compounds.Comment: 18 pages, 2 figure

Finite-Energy Spectral-Weight Distributions of a 1D Correlated Metal

We derive general closed-form analytical expressions for the finite-energy one- and two-electron spectral-weight distributions of an one-dimensional correlated metal with on-site electronic repulsion. Our results also provide general expressions for the one- and two-atom spectral functions of a correlated quantum system of cold fermionic atoms in a one-dimensional optical lattice with on-site atomic repulsion. In the limit of zero spin density our spectral-function expressions provide the correct zero-spin density results. Our results reveal the dominant non-perturbative microscopic many-particle mechanisms behind the exotic spectral properties observed in quasi-one-dimensional metals and correlated systems of cold fermionic atoms in one-dimensional optical lattices.Comment: 30 pages, no figure