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arXiv:2311.16954

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

D. Bozi

Published Nov 28, 2023• 0 citations
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Abstract

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 $η$-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 $(k,ω)$ 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.

DOI
10.48550/arxiv.2311.16954

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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.
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.
Abstract. In this paper we derive general expressions for few-electron spectral functions of the one-dimensional Hubbard model for values of the excitation energy in the vicinity of the M th upper-Hubbard band lower limit. Here M = 1, 2,... is the rotated-electron double occupation, which vanishes for the ground state and is a good quantum number for all values of the on-site Coulomb repulsion U. Our studies rely on a combination of symmetries of the model with a recent finite-energy holon and spinon description of the quantum problem. We apply our general scheme to the one-electron addition spectral function, dynamical structure factor, and spin singlet Cooper pair addition spectral function. Our results provide physically interesting information about the finite-energy spectral properties of the many-electron one-dimensional quantum liquid. PACS numbers: 71.10.Fd, 64.60.Fr, 11.30.-j, 71.10.PmOne and Two-Electron Spectral Function Expressions... 2 1.
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.
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.
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.