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arXiv:cond-mat/0012443 · Physical review. B, Condensed matter

Optical response in one-dimensional Mott insulators

S. S. Kancharla, C. J. Bolech

Published Aug 8, 2001• 22 citations
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Abstract

We study the optical response of a Mott Hubbard system in the framework of the half--filled extended Hubbard model using the density matrix renormalization group (DMRG) method. We discuss the appearance of excitonic features inside the spectral gap as the system goes from the spin density wave (SDW) to the charge density wave (CDW) phase.

DOI
10.1103/physrevb.64.085119

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We study the optical response of a Mott Hubbard system in the framework of the half--filled extended Hubbard model using the density matrix renormalization group (DMRG) method. We discuss the appearance of excitonic features inside the spectral gap as the system goes from the spin density wave (SDW) to the charge density wave (CDW) phase.
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).
We employ dynamical density-matrix renormalization-group (DDMRG) and field-theory methods to determine the frequency-dependent optical conductivity in one-dimensional extended, half-filled Hubbard models. The field-theory approach is applicable to the regime of ``small'' Mott gaps which is the most difficult to access by DDMRG. For very large Mott gaps the DDMRG recovers analytical results obtained previously by means of strong-coupling techniques. We focus on exciton formation at energies below the onset of the absorption continuum. As a consequence of spin-charge separation, these Mott-Hubbard excitons are bound states of spinless, charged excitations (``holon-antiholon'' pairs). We also determine exciton binding energies and sizes. In contrast to simple band insulators, we observe that excitons exist in the Mott-insulating phase only for a sufficiently strong intersite Coulomb repulsion. Furthermore, our results show that the exciton binding energy and size are not related in a simple way to the strength of the Coulomb interaction.
We employ dynamical density-matrix renormalization-group (DDMRG) and field-theory methods to determine the frequency-dependent optical conductivity in one-dimensional extended. half-filled Hubbard models. The field-theory approach is applicable to the regime of "small" Mott gaps which is the most difficult to access by DDMRG. For very large Mott gaps the DDMRG recovers analytical results obtained previously by means of strong-coupling techniques. We focus on exciton formation at energies below the onset of the absorption continuum. As a consequence of spin-charge separation, these Mott-Hubbard excitons are bound states of spinless, charged excitations ("holon-antiholon" pairs). We also determine exciton binding energies and sizes. In contrast to simple band insulators, we observe that excitons exist in the Mott-insulating phase only for a sufficiently strong intersite Coulomb repulsion. Furthermore, our results show that the exciton binding energy and size are not related in a simple way to the strength of the Coulomb interaction.
In order to clarify the physics of the crossover from a spin-density-wave (SDW) Mott insulator to a charge-density-wave (CDW) Peierls insulator in one-dimensional (1D) systems, we investigate the Hubbard-Holstein Hamiltonian at half filling within a density matrix renormalisation group (DMRG) approach. Determining the spin and charge correlation exponents, the momentum distribution function, and various excitation gaps, we confirm that an intervening metallic phase expands the SDW-CDW transition in the weak-coupling regime.
We investigate the dynamical spin and charge structure factors and the one-particle spectral function of the one-dimensional extended Hubbard model at half band filling using the dynamical density-matrix renormalization-group method. The influence of the model parameters on these frequency- and momentum-resolved dynamical correlation functions is discussed in detail for the Mott-insulating regime. We find quantitative agreement between our numerical results and experiments for the optical conductivity, resonant inelastic x-ray scattering, neutron scattering, and angle-resolved photoemission spectroscopy in the quasi-one-dimensional Mott insulator SrCuO2\mathrm{Sr}\mathrm{Cu}{\mathrm{O}}_{2}SrCuO2​.
We define, compute, and analyze the nonequilibrium differential optical conductivity of the one-dimensional extended Hubbard model at half-filling after applying a pump pulse, using the time-dependent density matrix renormalization group method. The melting of the Mott insulator is accompanied by a suppression of the local magnetic moment and ensuing photogeneration of doublon-holon pairs. The differential optical conductivity reveals (i) mid-gap states related to parity-forbidden optical states and (ii) strong renormalization and hybridization of the excitonic resonance and the absorption band, yielding a Fano resonance. We offer evidence and interpret such a resonance as a signature of nonequilibrium optical excitations resembling excitonic strings, (bi)excitons, and unbound doublon-holon pairs, depending on the magnitude of the intersite Coulomb repulsion. We discuss our results in the context of pump and probe spectroscopy experiments on organic Mott insulators.