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Physical Review Letters

Collective excitations, photoemission spectra, and optical gaps in strongly correlated Fermi systems

Claudio Castellani, Gabriel Kotliar, Roberto Raimondi, M. Grilli, Z. Wang, Marcelo J. Rozenberg

Published Sep 28, 1992• 49 citations
Publisher

Abstract

We analyze the single-particle and collective excitations near the metal to charge-transfer insulator transition, using the slave-boson technique. We show that the Mott transition can be interpreted as a softening of an auxiliary Bose excitation. In the insulating phase the energy of the boson at zero momentum is related to the jump in the chemical potential at zero doping. The dispersion of the collective modes gives rise to the structure of the incoherent Hubbard bands. A similar picture holds for the single-band Hubbard model.

DOI
10.1103/physrevlett.69.2009

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We analyze the single-particle and collective excitations near the metal to charge-transfer insulator transition, using the slave-boson technique. We show that the Mott transition can be interpreted as a softening of an auxiliary Bose excitation. In the insulating phase the energy of the boson at zero momentum is related to the jump in the chemical potential at zero doping. The dispersion of the collective modes gives rise to the structure of the incoherent Hubbard bands. A similar picture holds for the single-band Hubbard model.
We analyze the single-particle spectral density and the optical conductivity of the single-band Hubbard model in the insulating Mott phase within the slave-boson technique. We show that the boson fluctuations around the saddle-point solution build up the lower and upper Hubbard bands and give rise to the optical conductivity which describes transitions between these incoherent bands. We find that the Brinkman-Rice metal-insulator transition is characterized by the simultaneous vanishing of the jump in the chemical potential, the single-particle spectral density gap, and the optical gap.
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An intuitive interpretation of the relationship between the dispersion relation of the single-particle excitation in a metal and that of the spin excitation in a Mott insulator is presented, based on the results for the one- and two-dimensional Hubbard models obtained by using the Bethe ansatz, dynamical density-matrix renormalization group method, and cluster perturbation theory. The dispersion relation of the spin excitation in the Mott insulator is naturally constructed from that of the single-particle excitation in the zero-doping limit in both one- and two-dimensional Hubbard models, which allows us to interpret the doping-induced states as the states that lose charge character toward the Mott transition. The characteristic feature of the Mott transition is contrasted with the feature of a Fermi liquid and that of the transition between a band insulator and a metal.
In strongly correlated electron systems, the emergence of states in the Mott gap in the single-particle spectrum following the doping of the Mott insulator is a remarkable feature that cannot be explained in a conventional rigid-band picture. Here, based on an analysis of the quantum numbers and the overlaps of relevant states, as well as through a demonstration using the ladder and bilayer $t\text{\ensuremath{-}}J$ models, it is shown that in a continuous Mott transition due to hole doping, the magnetically excited states of the Mott insulator generally emerge in the electron-addition spectrum with the dispersion relation shifted by the Fermi momentum in the momentum region where the lower Hubbard band is not completely filled. This implies that the dispersion relation of a free-electron-like mode in the electron-addition spectrum eventually transforms into essentially the momentum-shifted magnetic dispersion relation of the Mott insulator, while its spectral weight gradually disappears toward the Mott transition. This feature reflects the spin-charge separation of the Mott insulator.
A new non-perturbative framework for many-body correlated systems is formulated by extending the operator projection method (OPM). This method offers a systematic expansion which enables us to project into the low-energy structure after extracting the higher-energy hierarchy. This method also opens a way to systematically take into account the effects of collective excitations. The Mott-Hubbard metal-insulator transition in the Hubbard model is studied by means of this projection beyond the second order by taking into account magnetic and charge fluctuations in the presence of the high-energy Mott-Hubbard structure. At half filling, the Mott-Hubbard gap is correctly eproduced between the separated two bands. Near half filling, a strongly renormalized low-energy single-particle excitations coexisting with the Mott-Hubbard bands are shown to appear. Signifcance of momentum-dependent self-energy in the results is stressed.
We use the Kotliar-Ruckenstein slave-boson formalism to study the temperature dependence of paramagnetic phases of the one-band Hubbard model for a variety of band structures. We calculate the Fermi liquid quasiparticle spectral weight ZZZ and identify the temperature at which it decreases significantly to a crossover to a bad metal region. Near the Mott metal-insulator transition, this coherence temperature Tcoh{T}_{\mathrm{coh}}Tcoh​ is much lower than the Fermi temperature of the uncorrelated Fermi gas, as is observed in a broad range of strongly correlated electron materials. After a proper rescaling of temperature and interaction, we find a universal behavior that is independent of the band structure of the system. We obtain the temperature-interaction phase diagram as function of doping, and we compare the temperature dependence of the double occupancy, entropy, and charge compressibility with previous results obtained with dynamical mean-field theory. We analyze the stability of the method by calculating the charge compressibility.