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arXiv:cond-mat/9808334 · Physical Review Letters

Finite Temperature Effects in a One-Dimensional Mott-Hubbard Insulator: Angle-Resolved Photoemission Study of Na0.96V2O5

Keisuke Kobayashi, T. Mizokawa, Atsushi Fujimori, Masahiko Isobe, Yutaka Ueda, Takami Tohyama, Sadamichi Maekawa

Published Jan 25, 1999• 37 citations
arXivHTMLPDF

Abstract

We have made an angle-resolved photoemission study of a one-dimensional Mott-Hubbard insulator ${\mathrm{Na}}_{0.96}{\mathrm{V}}_{2}{\mathrm{O}}_{5}$ and found that the spectra of the V $3d$ lower Hubbard band are strongly dependent on the temperature. We have calculated the one-particle spectral function of the one-dimensional $t\ensuremath{-}J$ model at finite temperatures by exact diagonalization and compared them with the experimental results. Good overall agreement is obtained between experiment and theory. The strong finite temperature effects are discussed in terms of the existence of the ``Fermi surface'' of the spinon band.

DOI
10.1103/physrevlett.82.803

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We have made an angle-resolved photoemission study of a one-dimensional Mott-Hubbard insulator Na0.96V2O5{\mathrm{Na}}_{0.96}{\mathrm{V}}_{2}{\mathrm{O}}_{5}Na0.96​V2​O5​ and found that the spectra of the V 3d3d3d lower Hubbard band are strongly dependent on the temperature. We have calculated the one-particle spectral function of the one-dimensional t\ensuremath−Jt\ensuremath{-}Jt\ensuremath−J model at finite temperatures by exact diagonalization and compared them with the experimental results. Good overall agreement is obtained between experiment and theory. The strong finite temperature effects are discussed in terms of the existence of the ``Fermi surface'' of the spinon band.
Motivated by the recent angle-resolved photoemission spectroscopy (ARPES) measurements on one-dimensional Mott insulators, SrCuO2\mathrm{Sr}\mathrm{Cu}{\mathrm{O}}_{2}SrCuO2​ and Na0.96V2O5{\mathrm{Na}}_{0.96}{\mathrm{V}}_{2}{\mathrm{O}}_{5}Na0.96​V2​O5​, we examine the single-particle spectral weight of the one-dimensional (1D) Hubbard model at half filling. We are particularly interested in the temperature dependence of the spinon and holon excitations. For this reason, we have performed the 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\mathrm{Sr}\mathrm{Cu}{\mathrm{O}}_{2}SrCuO2​. These numerical results are also in agreement with the temperature dependence of the ARPES results on Na0.96V2O5{\mathrm{Na}}_{0.96}{\mathrm{V}}_{2}{\mathrm{O}}_{5}Na0.96​V2​O5​.
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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.
We investigate the temperature dependence of optical absorption spectra of one-dimensional (1D) and two-dimensional (2D) Mott insulators by using an effective model in the strong-coupling limit of a half-filled Hubbard model. In the numerically exact diagonalization calculations on finite-size clusters, we find that in 1D the energy position of the absorption edge is almost independent of temperature, while in 2D the edge position shifts to lower energy with increasing temperature. The different temperature dependence between 1D and 2D is attributed to the difference of the coupling of the charge and spin degrees of freedom. The implications of the results on experiments are discussed in terms of the dimensionality dependence.
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Recent angle-resolved photoemission spectroscopy (ARPES) for a newly discovered doped one-dimensional (1D) Mott insulator ${\mathrm{Ba}}_{2\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{CuO}}_{3+\ensuremath{\delta}}$ proposed the presence of attractive charge interactions between neighboring sites if a 1D Hubbard model is employed to describe the material. On the other hand, long-range repulsive charge interactions were proposed to be crucial for understanding the optical excitations of undoped 1D Mott insulators. Motivated by these contrasting proposals, we perform density-matrix renormalization group calculations of the single-particle spectral function as well as dynamical spin and charge structure factors for two kinds of extended 1D Hubbard models. The spectral function for the long-range repulsive model less agrees with the ARPES data as compared with that for the attractive one. The dynamical spin and charge structure factors also exhibit contrasting behaviors between the two models: The attractive model shows less momentum dependence of the integrated weight in the dynamical spin structure factor and more accumulation of the weight on the upper edge of particle-hole-type excitation in the dynamical charge structure factor. These features give a good criterion of an appropriate model for doped 1D Mott insulators, which can be judged by resonant-inelastic x-ray scattering experiments.