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arXiv:1605.09620 · Nuclear Physics B

One-electron singular spectral features of the 1D Hubbard model at finite magnetic field

J. M. P. Carmelo, Tilen Čadež

Published Nov 18, 2016• 14 citations
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Abstract

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.

DOI
10.1016/j.nuclphysb.2016.11.009

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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.
In the first paper of this series it was found that the ηηη-spin 1/2 holons, spin 1/2 spinons, and ccc pseudoparticles whose occupancy configurations describe the energy eigenstates of the one-dimensional Hubbard model emerge from the electron - rotated-electron unitary transformation. In this second paper we discuss and clarify how the relation of the electrons to the above objects can be used in a program for evaluation of finite-energy few-electron spectral functions. As a first step, here we characterize the dominant holon and spinon microscopic physical processes that originate more than 99% of the few-electron spectral weight. These dominant processes are related to exact selection rules for the values of the number of holons and spinons generated or annihilated by application onto a ground state of rotated-electron operators. We also generalize the concepts of a lower Hubbard band and upper Hubbard bands to all values of on-site Coulombian repulsion.
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/tU/tU/t and filling n∈(0,1)n \in (0,1)n∈(0,1), at vanishing magnetisation m→0m \rightarrow 0m→0, and (2) discover how to correctly compare the results originating from two different theoretical frameworks in the U/t→∞U/t \rightarrow \inftyU/t→∞ 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→∞U \rightarrow \inftyU→∞ 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/tU/tU/t, where the dynamical quantum objects are spin zero and ηηη-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=400U/t = 400U/t=400, with the purpose of comparing it with the same function obtained by other authors (and other means) in the U→∞U \rightarrow \inftyU→∞ 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,ω)(k,ω)(k,ω) 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.
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.
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.
Although charge-spin separation has important consequences for the properties of one-dimensional (1D) Mott-Hubbard insulators, matrix elements in some of its dynamical correlation functions involve the coupling of spin and charge degrees of freedom. The corresponding interplay of the 1D Mott-Hubbard insulator's charge and spin degrees of freedom is an issue of both fundamental and technological interest, for instance, concerning their dynamics at subpicosecond timescales. On the other hand, the up- and down-spin one-particle spectral functions are the simplest dynamical correlation functions that involve excitation of both the charge and spin degrees of freedom. They are thus suitable to extract basic useful physical information on the above interplay at finite magnetic fields. Here the line shape of such functions at and in the $(k,\ensuremath{\omega})$ plane's vicinity of their cusp singularities is studied for the Mott-Hubbard insulator described by the 1D Hubbard model with one fermion per site at zero and finite magnetic fields. At zero field, they can be accessed in terms of electrons by photoemission experiments. At finite field, such functions and corresponding interplay of correlations and magnetic-field effects refer to an involved nonperturbative many-particle problem that is poorly understood. The Mott-Hubbard gap that separates the addition and removal spectral functions is calculated for all spin densities and interaction values. The qualitative differences in the one-particle properties of the Mott-Hubbard insulator and corresponding doped insulator are also investigated. The relation of our theoretical results and predictions to both condensed-matter and ultracold spin-1/21/21/2 atom systems is discussed.
The momentum, fermionic density, spin density, and interaction dependencies of the exponents that control the (k,ω)-plane singular features of the one-fermion spectral functions of a one-dimensional gas of spin-1/2 fermions with repulsive delta-function interaction both at zero and finite magnetic field are studied in detail. Our results refer to energy scales beyond the reach of the low-energy Tomonaga-Luttinger liquid and rely on the pseudofermion dynamical theory for integrable models. The one-fermion spectral weight distributions associated with the spectral functions studied in this paper may be observed in systems of spin-1/2 ultra-cold fermionic atoms in optical lattices.