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=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=10 and $\ensuremath{\delta}=0.2$ where the spin-charge separation is still observable, increasing the nearest-neighbor interaction
V 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
U 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
V 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=10, we observe that the band structure indicative of the spin-charge separation gradually transitions to four individual bands as the Peierls instability
δ increases. At
U=10 and
δ=0.2 where the spin-charge separation is still observable, increasing the nearest-neighbor interaction
V can drive the system to a charge-density-wave (CDW) state when
V≳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
U results in only a very small gap in the single-particle spectrum because even for
U=+∞, with the model transforming into a noninteracting half-filled dimerized tight-binding model, its gap determined by the Peierls instability
δ remains small. Conversely, increasing
V can effectively open the single-particle gap and make the spinon and holon bands more prominent.
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-
1/2 atom systems is discussed.
We theoretically study photoemission spectra for photodoped one-dimensional Mott insulators that can host excitons, and show that their spectral characteristics differ qualitatively from those of photodoped semiconductors. In conventional semiconductors, photoemission spectra are well understood; free charge carriers generate spectral weight near the bottom of the conduction band, while the formation of excitons leads to replica features of the valence band appearing inside the band gap. In one-dimensional Mott insulators, on the other hand, strong correlations give rise to fractionalized elementary excitations-spinons, holons, and doublons-which fundamentally modify the photoemission response. We find that when photodoped carriers, i.e., doublons and holons, remain unbound, the photoemission spectrum directly reflects the dispersion of spinons, i.e., magnetic elementary excitations. In contrast, when a doublon and a holon form an excitonic bound state, replica structures of the lower Hubbard band emerge inside the Mott gap, carrying contributions from both spinon and holon excitations. Importantly, the distribution of the in-gap signal depends sensitively on the degree of doublon-holon binding. The origin of these spectral features is clarified through a combination of exact diagonalization and the slave-particle approach. These results indicate that photoemission from photoinduced carriers and excitons in strongly correlated electron systems can provide information on magnetic properties and carrier-binding properties.
Motivated by the recent angle‐resolved photoemission spectroscopy (ARPES) measurements on one‐dimensional Mott insulators, SrCuO2 and Na0.96V2O5, we examine the single‐particle spectral weight of the one‐dimensional (1D) Hubbard model at half‐filling and in the doped case. We are particularly interested in the temperature dependence of the spinon and holon excitations. For this reason, we have performed dynamical density matrix renormalization group and determinantal quantum Monte Carlo (QMC) calculations for the single‐particle spectral weight of the 1D Hubbard model. In the QMC data, the spinon and holon branches become observable at temperatures where the short‐range antiferromagnetic correlations develop. At these temperatures, the spinon branch grows rapidly. In the light of the numerical results, we discuss the spinon and holon branches observed by the ARPES experiments on SrCuO2. These numerical results are also in agreement with the temperature dependence of the ARPES results on Na0.96V2O5. In addition, we briefly discuss the spectral weight in the doped case.