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arXiv:cond-mat/0404618 · Europhysics Letters (EPL)

One-electron singular branch lines of the Hubbard chain

J. M. P. Carmelo, Karlo Penc, Luís Miguel Martelo, Pedro D Sacramento, J. M. B. Lopes dos Santos, R. Claessen, M. Sing, Udo Schwingenschlögl

Published Jul 1, 2004• 36 citations
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Abstract

The momentum and energy dependence of the weight distribution in the vicinity of the one-electron spectral-function singular branch lines of the 1D Hubbard model is studied for all values of the electronic density and on-site repulsion U . To achieve this goal, we use the recently introduced pseudofermion dynamical theory. Our predictions agree quantitatively for the whole momentum and energy bandwidth with the peak dispersions observed by angle-resolved photoelectron spectroscopy in the quasi-1D organic conductor TTF-TCNQ.

DOI
10.1209/epl/i2004-10111-0

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The momentum and energy dependence of the weight distribution in the vicinity of the one-electron spectral-function singular branch lines of the 1D Hubbard model is studied for all values of the electronic density and on-site repulsion U . To achieve this goal, we use the recently introduced pseudofermion dynamical theory. Our predictions agree quantitatively for the whole momentum and energy bandwidth with the peak dispersions observed by angle-resolved photoelectron spectroscopy in the quasi-1D organic conductor TTF-TCNQ.
In this paper we use the pseudofermion dynamical theory (PDT) in the study of the one-electron removal singular spectral features the one-dimensional Hubbard model. The PDT reveals that in the whole (k,ω)(k, ω)(k,ω)-plane such features are of power-law type and correspond to well defined lines of three types: the charge singular branch lines, the spin singular branch lines, and the border lines. One of our goals is the study of the momentum and energy dependence of the spectral-weight distribution in the vicinity of such lines. We find that the charge and spin branch lines correspond to the main tetracyanoquinodimethane (TCNQ) peak dispersions observed by angle-resolved photoelectron spectroscopy in the quasi-1D organic conductor tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ). Our expressions refer to all values of the electronic density and on-site repulsion UUU. The weight distribution in the vicinity of the singular spectral lines is fully controlled by the overall pseudofermion phase shifts. Moreover, the shape of these lines is determined by the bare-momentum dependence of the pseudofermion energy dispersions.
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.
The momentum, electronic density, spin density, and interaction dependences of the exponents that control the ( k , ω ) -plane singular features of the σ = ↑ , ↓ one-electron spectral functions of the 1D Hubbard model at finite magnetic field are studied. The usual half-filling concepts of one-electron lower Hubbard band and upper Hubbard band are defined in terms of the rotated electrons associated with the model Bethe-ansatz solution for all electronic density and spin density values and the whole finite repulsion range. Such rotated electrons are the link of the non-perturbative relation between the electrons and the pseudofermions. Our results further clarify the microscopic processes through which the pseudofermion dynamical theory accounts for the one-electron matrix elements between the ground state and excited energy eigenstates.
We present a method for the calculation of few-electron spectral functions of the one-dimensional Hubbard model which relies on a pseudofermion description introduced recently in Ref. [6]. The spectral functions are expressed as a convolution of pseudofermion dynamical correlation functions. Our general method involves the direct evaluation of the matrix elements of pseudofermion operators between the ground state and the excited states. We briefly discuss the application of our general method to the study of the unusual finite-energy spectral properties observed in the quasi-one-dimensional organic conductor TTF-TCNQ.
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.
We calculate the photoemission spectral function of the one-dimensional Hubbard model away from half filling using the dynamical density-matrix renormalization group method. An approach for calculating momentum-dependent quantities in finite open chains is presented. Comparison with exact Bethe ansatz results demonstrates the unprecedented accuracy of our method. Our results show that the photoemission spectrum of the quasi-one-dimensional conductor TTF-TCNQ provides evidence for spin-charge separation on the scale of the conduction bandwidth.