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Spectral functions of half-filled one-dimensional Hubbard rings with varying boundary conditions

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Published Sep 10, 2026• 0 citations
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Abstract

We study the effect of varying the boundary condition on: the spectral function of a finite one-dimensional Hubbard chain, which we compute using direct (Lanczos) diagonalization of the Hamiltonian. By direct comparison with the two-body response functions and with the exact solution of the Bethe ansatz equations, we can identify both spinon and holon features in the spectra. At half-filling the spectra have the well-known structure of a low-energy holon band and its shadow-which spans the whole Brillouin zone-and a spinon band present for momenta less than the Fermi momentum. Features related to the twisted boundary condition are cusps in the spinon band. We show that the spectral building principle, adapted to account for both the finite system size and the twisted boundary condition, describes the spectra well in terms of single spinon and holon excitations. We argue that these finite-size effects are a signature of spin-charge separation and that their study should help establish the existence and nature of spin-charge separation in finite-size systems.

DOI
10.82444/warw.33524749

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We study the effect of varying the boundary condition on: the spectral function of a finite one-dimensional Hubbard chain, which we compute using direct (Lanczos) diagonalization of the Hamiltonian. By direct comparison with the two-body response functions and with the exact solution of the Bethe ansatz equations, we can identify both spinon and holon features in the spectra. At half-filling the spectra have the well-known structure of a low-energy holon band and its shadow-which spans the whole Brillouin zone-and a spinon band present for momenta less than the Fermi momentum. Features related to the twisted boundary condition are cusps in the spinon band. We show that the spectral building principle, adapted to account for both the finite system size and the twisted boundary condition, describes the spectra well in terms of single spinon and holon excitations. We argue that these finite-size effects are a signature of spin-charge separation and that their study should help establish the existence and nature of spin-charge separation in finite-size systems.
We study the effect of varying the boundary condition on the spectral function of a finite one-dimensional Hubbard chain, which we compute using direct (Lanczos) diagonalization of the Hamiltonian. By direct comparison with the two-body response functions and with the exact solution of the Bethe ansatz equations, we can identify both spinon and holon features in the spectra. At half-filling the spectra have the well-known structure of a low-energy holon band and its shadow---which spans the whole Brillouin zone---and a spinon band present for momenta less than the Fermi momentum. Features related to the twisted boundary condition are cusps in the spinon band. We show that the spectral building principle, adapted to account for both the finite system size and the twisted boundary condition, describes the spectra well in terms of single spinon and holon excitations. We argue that these finite-size effects are a signature of spin-charge separation and that their study should help establish the existence and nature of spin-charge separation in finite-size systems.
By utilizing the twisted boundary conditions in the exact diagonalization method, we investigate the single-particle spectral function of the extended Peierls-Hubbard model at both half-filling and quarter-filling. In one-dimensional (1D) interacting systems, the spin-charge separation can typically be identified in the single-particle spectral function by observing the distinct spinon and holon bands. At half-filling, starting from the pure 1D Hubbard model with the on-site interaction U=10U=10U=10, we observe that the band structure indicative of the spin-charge separation gradually transitions to four individual bands as the Peierls instability $\ensuremath{\delta}$ increases. At U=10U=10U=10 and $\ensuremath{\delta}=0.2$ where the spin-charge separation is still observable, increasing the nearest-neighbor interaction VVV can drive the system to a charge-density-wave state when $V\ensuremath{\gtrsim}U/2$. At quarter-filling, on the other hand, the ground state of Peierls-Hubbard model manifests an antiferromagnetic Mott insulator in units of dimers. Increasing UUU results in only a very small gap in the single-particle spectrum because even for $U=+\ensuremath{\infty}$, with the model transforming into a noninteracting half-filled dimerized tight-binding model, its gap determined by the Peierls instability $\ensuremath{\delta}$ remains small. Conversely, increasing VVV can effectively open the single-particle gap and make the spinon and holon bands more prominent.
By utilizing the twisted boundary conditions in the exact diagonalization method, we investigate the single-particle spectral function of the extended Peierls-Hubbard model at both half-filling and quarter filling. In one-dimensional (1D) interacting systems, the spin-charge separation can typically be identified in the single-particle spectral function by observing the distinct spinon and holon bands. At half filling, starting from the pure 1D Hubbard model with the on-site interaction U=10U=10U=10, we observe that the band structure indicative of the spin-charge separation gradually transitions to four individual bands as the Peierls instability δδδ increases. At U=10U=10U=10 and δ=0.2δ=0.2δ=0.2 where the spin-charge separation is still observable, increasing the nearest-neighbor interaction VVV can drive the system to a charge-density-wave (CDW) state when V≳U/2V\gtrsim U/2V≳U/2, without the obeservation of spinon and holon bands. At quarter-filling, on the other hand, the ground state of Peierls-Hubbard model manifests an antiferromagnetic Mott insulator in units of dimers. Increasing UUU results in only a very small gap in the single-particle spectrum because even for U=+∞U=+\inftyU=+∞, with the model transforming into a noninteracting half-filled dimerized tight-binding model, its gap determined by the Peierls instability δδδ remains small. Conversely, increasing VVV can effectively open the single-particle gap and make the spinon and holon bands more prominent.
We study the charge dynamic structure factor of the one-dimensional Hubbard model with finite on-site repulsion UUU at half-filling. Numerical results from the time-dependent density matrix renormalization group are analyzed by comparison with the exact spectrum of the model. The evolution of the line shape as a function of UUU is explained in terms of a relative transfer of spectral weight between the two-holon continuum that dominates in the limit $U\ensuremath{\rightarrow}\ensuremath{\infty}$ and a subset of the two-holon-two-spinon continuum that reconstructs the electron-hole continuum in the limit $U\ensuremath{\rightarrow}0$. Power-law singularities along boundary lines of the spectrum are described by effective impurity models that are explicitly invariant under spin and $\ensuremath{\eta}$-spin SU(2)\text{SU}(2)SU(2) rotations. The Mott-Hubbard metal-insulator transition is reflected in a discontinuous change of the exponents of edge singularities at U=0U=0U=0. The sharp feature observed in the spectrum for momenta near the zone boundary is attributed to a van Hove singularity that persists as a consequence of integrability.
We study the charge dynamic structure factor of the one-dimensional Hubbard model with finite on-site repulsion U at half filling. Numerical results from the time-dependent density matrix renormalization group are analyzed by comparison with the exact spectrum of the model. The evolution of the line shape as a function of U is explained in terms of a relative transfer of spectral weight between the two-holon continuum that dominates in the limit U\to \infty and a subset of the two-holon-two-spinon continuum that reconstructs the electron-hole continuum in the limit U\to 0. Power-law singularities along boundary lines of the spectrum are described by effective impurity models that are explicitly invariant under spin and \eta-spin SU(2) rotations. The Mott-Hubbard metal-insulator transition is reflected in a discontinuous change of the exponents of edge singularities at U=0. The sharp feature observed in the spectrum for momenta near the zone boundary is attributed to a Van Hove singularity that persists as a consequence of integrability.
We use the Bethe ansatz solution for the one-dimensional Hubbard model with open boundary conditions and applied boundary fields to study the spectrum of bound states at the boundary. Depending on the strength of the boundary potentials, one finds that the true ground state contains a single charge or, for boundary potentials comparable with the Hubbard interaction, a pair of electrons in a bound state. If these are left unoccupied one finds holon and spinon bound states. We compute the finite size corrections to the low-lying energies in this system and use the predictions of boundary conformal field theory to study the exponents related to the orthogonality catastrophe.