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arXiv:cond-mat/9608152 · Journal of the Physical Society of Japan

Charge Excitations in Doped Mott Insulator in One Dimension

Michiyasu Mori, Hidetoshi Fukuyama

Published Nov 15, 1996• 28 citations
arXivHTMLPDF

Abstract

The doped Mott insulator in one dimension has been studied based on the phase Hamiltonian with the Umklapp scattering process, in which the charge degree of freedom is described by the quantum sine-Gordon model. The well-known equivalence between the quantum sine-Gordon model and the massive Thirring model for the spinless fermion makes it clear that the Mott-Hubbard gap originates from the Umklapp scattering process as was indicated by Emery and Giamarchi. Compressibility, density-density correlation function, frequency dependence of optical conductivity and Drude weight have been calculated in the presence of the impurity scattering treated in the self-consistent Born approximation. It is seen that there exists a crossover behavior in the spectral weight of charge excitations: the acoustic mode is dominant in small wave number region while the optical excitations across the Mott-Hubbard gap lie in large wave number region and that this crossover wave number is reduced as the Mott transition is approached.

DOI
10.1143/jpsj.65.3604

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The doped Mott insulator in one dimension has been studied based on the phase Hamiltonian with the Umklapp scattering process, in which the charge degree of freedom is described by the quantum sine-Gordon model. The well-known equivalence between the quantum sine-Gordon model and the massive Thirring model for the spinless fermion makes it clear that the Mott-Hubbard gap originates from the Umklapp scattering process as was indicated by Emery and Giamarchi. Compressibility, density-density correlation function, frequency dependence of optical conductivity and Drude weight have been calculated in the presence of the impurity scattering treated in the self-consistent Born approximation. It is seen that there exists a crossover behavior in the spectral weight of charge excitations: the acoustic mode is dominant in small wave number region while the optical excitations across the Mott-Hubbard gap lie in large wave number region and that this crossover wave number is reduced as the Mott transition is approached.
The spectrum of charge excitations, Im N ( q , ω), has been evaluated near the Mott transition in the one-dimensional Hubbard model with a particular value of the Coulomb interaction. The present theory based on a continuum limit describes the smooth change between the Tomonaga-Luttinger liquid state with a q -linear mode and the Mott insulator with a charge gap, by considering Umklapp scattering. The charge susceptibility is seen to diverge proportional to the inverse of the doping rate as the Mott insulator state is approached, in agreement with Bethe-ansatz result. It is shown that the q region where the renormalization group theory and conformal field theory are valid becomes vanishingly small as the transition is approached.
The low--energy excited states of a system of interacting one--dimensional fermions in a conducting state are collective charge and spin density oscillations. The unusual physical properties of such a system (called ``Luttinger liquid'') are characterized by the velocities uρu_ρuρ​ and uσu_σuσ​ of the charge and spin excitations, as well as by a parameter KρK_ρKρ​ that determines the power law behavior of correlation functions. Umklapp scattering occuring at half--filling or other commensurate bandfilling can lead to a transition into an insulating state, characterized in particular by a gap in the charge excitations (the Mott--Hubbard gap). The properties in the vicinity of the transition are shown to depend on both the way the transition is approached (constant bandfilling and varying interaction, or constant interaction and varying bandfilling) and on the ``order'' of the commensurability. In particular, even and odd fractional fillings show quite different behavior. This behavior is illustrated in detail using lattice models like the Hubbard model and its extensions.
The one-dimensional Mott metal-insulator transition is a typical strong correlation effect triggered by the Umklapp scattering. However, in a physical system, the Umklapp scattering coexists with the normal scattering, including both forward and backward scattering, which conserves the total momentum of scattered electrons. Therefore, it is not easy to quantify the contribution of the Umklapp scattering in a Mott metal-insulator transition. To resolve this difficulty, we propose to explore these scattering processes separately. We study the contribution of each scattering process in the one-dimensional Hubbard model using the momentum-space density-matrix renormalization group (kDMRG) and bosonization methods. Our kDMRG calculation confirms that the Mott charge gap results from the Umklapp scattering, but the normal scattering processes strongly renormalize its value. Furthermore, we present a scaling analysis of the Mott charge gap in the bosonization theory and show that the interplay between the Umklapp and forward scattering dictates the charge dynamics in the half-filled Hubbard model.
The density-matrix renormalization-group (DMRG) method is used to investigate optical excitations in the Mott insulating phase of a one-dimensional extended Hubbard model. The linear optical conductivity is calculated using the dynamical DMRG method and the nature of the lowest optically excited states is investigated using a symmetrized DMRG approach. The numerical calculations agree perfectly with field-theoretical predictions for a small Mott gap and analytical results for a large Mott gap obtained with a strong-coupling analysis. It is shown that four types of optical excitations exist in this Mott insulator: pairs of unbound charge excitations, excitons, excitonic strings, and charge-density-wave (CDW) droplets. Each type of excitation dominates the low-energy optical spectrum in some region of the interaction parameter space and corresponds to distinct spectral features: a continuum starting at the Mott gap (unbound charge excitations), a single peak or several isolated peaks below the Mott gap (excitons and excitonic strings, respectively), and a continuum below the Mott gap (CDW droplets).
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.