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physica status solidi (b)

An information theoretical method (ITM) applied to the metal–insulator transition of the neutral hubbard model

E. Heiner

Published Jan 1, 1979• 4 citations
Publisher

Abstract

Abstract By a minimization procedure of the information measure for the single particle spectral weight function (SWF) of fermions a method is found for the approximate calculation of the SWF. Using this method it is possible to overcome the shortcoming of the rigid shape ansatz for the SWF within the moment expansion method. The new method is applied to the neutral Hubbard model and a criterion for the localization of the quasi‐particles is given.

DOI
10.1002/pssb.2220910108

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Physical review. B, Condensed matter•May 15, 1995•26 citations
Abstract By a minimization procedure of the information measure for the single particle spectral weight function (SWF) of fermions a method is found for the approximate calculation of the SWF. Using this method it is possible to overcome the shortcoming of the rigid shape ansatz for the SWF within the moment expansion method. The new method is applied to the neutral Hubbard model and a criterion for the localization of the quasi‐particles is given.
Abstract The method of Roth for the calculation of a (2 × 2 ) Green's function matrix is equivalent to the moment technique for the spectral weight function up to the fourth order. The method can be extended in order to derive a set of orthogonalized operators. With this method a selfconsistent calculation of the single‐particle Green's function and all important correlation functions of nearest neighbour sites is possible for the neutral Hubbard model. The results agree for a sc lattice in the strong correlation region at arbitrary temperatures with those of Shiba and Pincus for finite Hubbard systems. An antiferromagnetic coupling of neighboured lattice sites is increasing with a decrease of the temperature, a metalinsulator transition does not exist in this two‐pole approximation.
The single particle spectral-weight function (SWF) of the ionic Hubbard model at half filling is calculated in the cluster perturbation theory approximation. An abrupt change of regime in the low-energy region, near the chemical potential, is found at a critical value, UcU_{c}Uc​, of the coupling constant (Hubbard UUU). The SWF at the Fermi points kFk_{F}kF​=±π/2\pmπ/2±π/2 jumps, as UUU increases, from a two-peak structure, the gap edges, to a four-peak structure accompanied by a (non-vanishing) minimum of the charge-gap. The two inner peaks of this structure show very small dispersion (flat bands) away from the Fermi points, whereas the outer peaks mark the edges of the Hubbard bands. No other signatures of abrupt change are detected in the SWF. The two regimes are physically realized in the angle-resolved photoelectron spectra of (TaSe4)2I(TaSe_{4})_{2}I(TaSe4​)2​I, and the blue-bronze K0.3MoO3K_{0.3}MoO_{3}K0.3​MoO3​, respectively.
We must understand the physics of strongly interacting electrons if we are to have a fundamental understanding of magnetism. This paper treats the simplest model with this property — the Hubbard model. The moments of the spectral weight function (SWF), derived by Harris and Lange, are calculated in the atomic limit. These moments are used to generate an approximate SWF (including lifetime effects). The paramagnetic and ferromagnetic ground state energies are calculated and compared. There is no restriction on the electron density.
We present the continued fraction method (CFM) as a microscopic approximation to the spectral density of the Hubbard model in the correlated metal phase away from half filling. The quantity expanded as a continued fraction is the single-particle Green's function. Leading spectral moments are taken into account through a set of real expansion coefficients, as known from the projection technique. Further stages are added to the continued fraction, with complex coefficients, thus defining a terminator function. This enables us to treat the entire spectral range of the Green's function on equal footing and determine the energy scale of the Fermi liquid quasiparticles by minimizing the total energy. The solution is free of phenomenological parameters and remains well defined in the strong-coupling limit, near the doping-controlled metal-insulator transition. Our results for the density of states agree reasonably with those from several variants of the dynamical mean-field theory. The CFM requires minimal numerical effort and can be generalized in several ways that are interesting for applications to real materials.
A generalized Hubbard model with correlated hoppings is studied at half filling using exact diagonalization methods. For certain values of the hopping parameters our results for several static properties, the Drude weight and the single-particle spectra function, suggest the occurrence of a metal-insulator transition (MIT) at a finite value of the local Coulomb interaction Uc{\mathit{U}}_{\mathit{c}}Uc​. We identify the regions of the hopping parameters where the MIT is of the Mott type. In these regions, for large UUc{\mathit{U}}_{\mathit{c}}Uc​, we find a ferromagnetic ground state.