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arXiv:cond-mat/0508209 · Journal of Physics Condensed Matter

Spectral microscopic mechanisms and quantum phase transitions in a 1D correlated problem

J. M. P. Carmelo, Karlo Penc

Published Feb 20, 2006• 4 citations
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Abstract

In this paper we study the dominant microscopic processes that generate nearly the whole one-electron removal and addition spectral weight of the one-dimensional Hubbard model for all values of the on-site repulsion U . We find that for the doped Mott–Hubbard insulator there is a competition between the microscopic processes that generate the one-electron upper-Hubbard-band spectral-weight distributions of the Mott–Hubbard insulating phase and finite-doping-concentration metallic phase, respectively. The spectral-weight distributions generated by the non-perturbative processes studied here are shown elsewhere to agree quantitatively for the whole momentum and energy bandwidth with the peak dispersions observed by angle-resolved photoelectron spectroscopy in quasi-one-dimensional compounds.

DOI
10.1088/0953-8984/18/10/011

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In this paper we study the dominant microscopic processes that generate nearly the whole one-electron removal and addition spectral weight of the one-dimensional Hubbard model for all values of the on-site repulsion U . We find that for the doped Mott–Hubbard insulator there is a competition between the microscopic processes that generate the one-electron upper-Hubbard-band spectral-weight distributions of the Mott–Hubbard insulating phase and finite-doping-concentration metallic phase, respectively. The spectral-weight distributions generated by the non-perturbative processes studied here are shown elsewhere to agree quantitatively for the whole momentum and energy bandwidth with the peak dispersions observed by angle-resolved photoelectron spectroscopy in quasi-one-dimensional compounds.
Abstract. In this paper we study the dominant microscopic processes that generate nearly the whole one-electron removal and addition spectral weight of the onedimensional Hubbard model for all values of the on-site repulsion U. We find that for the doped Mott-Hubbard insulator there is a competition between the microscopic processes that generate the one-electron upper-Hubbard band spectral-weight distributions of the Mott-Hubbard insulating phase and finite-doping-concentration metallic phase, respectively. The spectral-weight distributions generated by the nonperturbative processes studied here are shown elsewhere to agree quantitatively for the whole momentum and energy bandwidth with the peak dispersions observed by angle-resolved photoelectron spectroscopy in quasi-one-dimensional compounds. PACS numbers: 71.20.-b, 71.10.Pm, 72.15.Nj, 71.27.+aSpectral microscopic mechanisms and... 2 1.
The momentum and energy dependence of the weight distribution in the vicinity of the one-electron spectral-function singular branch lines of the 1D Hubbard model is studied for all values of the electronic density and on-site repulsion U . To achieve this goal, we use the recently introduced pseudofermion dynamical theory. Our predictions agree quantitatively for the whole momentum and energy bandwidth with the peak dispersions observed by angle-resolved photoelectron spectroscopy in the quasi-1D organic conductor TTF-TCNQ.
Abstract How a Mott insulator develops into a weakly coupled metal upon doping is a central question to understanding various emergent correlated phenomena. To analyze this evolution and its connection to the high-Tc cuprates, we study the single-particle spectrum for the doped Hubbard model using cluster perturbation theory on superclusters. Starting from extremely low doping, we identify a heavily renormalized quasiparticle dispersion that immediately develops across the Fermi level, and a weakening polaronic side band at higher binding energy. The quasiparticle spectral weight roughly grows at twice the rate of doping in the low doping regime, but this rate is halved at optimal doping. In the heavily doped regime, we find both strong electron-hole asymmetry and a persistent presence of Mott spectral features. Finally, we discuss the applicability of the single-band Hubbard model to describe the evolution of nodal spectra measured by angle-resolved photoemission spectroscopy (ARPES) on the single-layer cuprate La2−xSrxCuO4 (0 ≤ x ≤ 0.15). This work benchmarks the predictive power of the Hubbard model for electronic properties of high-Tc cuprates.
In the first paper of this series it was found that the ηηη-spin 1/2 holons, spin 1/2 spinons, and ccc pseudoparticles whose occupancy configurations describe the energy eigenstates of the one-dimensional Hubbard model emerge from the electron - rotated-electron unitary transformation. In this second paper we discuss and clarify how the relation of the electrons to the above objects can be used in a program for evaluation of finite-energy few-electron spectral functions. As a first step, here we characterize the dominant holon and spinon microscopic physical processes that originate more than 99% of the few-electron spectral weight. These dominant processes are related to exact selection rules for the values of the number of holons and spinons generated or annihilated by application onto a ground state of rotated-electron operators. We also generalize the concepts of a lower Hubbard band and upper Hubbard bands to all values of on-site Coulombian repulsion.
We have calculated the single-particle density of states N(\ensuremath{\omega}) and the spectral weight A(p,\ensuremath{\omega}) for the doped two-dimensional Hubbard model by combining quantum Monte Carlo simulations with the maximum-entropy analytic continuation technique. We present results for various values of the doping, temperature, and Coulomb repulsion U. For sufficiently strong Coulomb repulsions and near half filling, a Mott-Hubbard pseudogap exists. In this case, we find that a peak develops at the top of the lower Hubbard band near the Fermi level at temperatures of order of the hopping t. The structure of this peak is similar to that seen in the infinite dimensional Hubbard model.
In this paper we use the pseudofermion dynamical theory (PDT) in the study of the one-electron removal singular spectral features the one-dimensional Hubbard model. The PDT reveals that in the whole (k,ω)(k, ω)(k,ω)-plane such features are of power-law type and correspond to well defined lines of three types: the charge singular branch lines, the spin singular branch lines, and the border lines. One of our goals is the study of the momentum and energy dependence of the spectral-weight distribution in the vicinity of such lines. We find that the charge and spin branch lines correspond to the main tetracyanoquinodimethane (TCNQ) peak dispersions observed by angle-resolved photoelectron spectroscopy in the quasi-1D organic conductor tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ). Our expressions refer to all values of the electronic density and on-site repulsion UUU. The weight distribution in the vicinity of the singular spectral lines is fully controlled by the overall pseudofermion phase shifts. Moreover, the shape of these lines is determined by the bare-momentum dependence of the pseudofermion energy dispersions.