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Physical review. B, Condensed matter

Single-particle spectral function of a generalized Hubbard model: Metal-insulator transition

Eduardo R. Gagliano, Armando A. Aligia, Liliana Arrachea, M. Avignon

Published May 15, 1995• 26 citations
Publisher

Abstract

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 ${\mathit{U}}_{\mathit{c}}$. We identify the regions of the hopping parameters where the MIT is of the Mott type. In these regions, for large U${\mathit{U}}_{\mathit{c}}$, we find a ferromagnetic ground state.

DOI
10.1103/physrevb.51.14012

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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.
Metal–insulator transition in the ground state of the Hubbard chain with the next-nearest-neighbor hopping is studied by exact diagonalization method. This model shows the partially ferromagnetic metal near the Mott insulator for large Coulomb repulsion while the model reveals the non-magnetic metal for small but finite Coulomb repulsion. We find the transition between the partially ferromagnetic metal and the Mott insulator without phase separation. A new critical exponent of the diverging charge compressibility with respect to the hole density is observed when the system approaches the metal–Mott-insulator transition point from the side of the partially ferromagnetic metal. We also find the occurrence of the phase separation between partially ferromagnetic metal and the Mott insulator for even larger Coulomb repulsion. The model proposed here is interesting in view of the magnetism as well as the metal–insulator transition.
We study the metal-insulator transition and magnetic ordering in the Hubbard model using the particle-hole mapping. This representation facilitates the exact solution of the half-filled band in the limit of high spin. We find that the two-dimensional Hubbard model has a charge-excitation gap at half filling for any finite U in the high-spin region on both the bipartite square lattice and the nonbipartite triangular lattice. We show, using the Kohn insulator criteria, that this bound-state phase is indeed insulating. Using the information from the single-pair solution, we construct a generalized BCS type of many-body wave function and derive the gap equation for lower-spin states. We find that in some cases, the system goes through a phase transition to become a metal as the total spin Sz{\mathit{S}}_{\mathit{z}}Sz​ is lowered.
Exact-diagonalization and quantum Monte Carlo methods are used to study the occurrence of a metal-insulator transition and the distribution of charges and magnetic moments in the ground state of a one- and two-dimensional half-filled system of correlated electrons, described by a one-band simplified Hubbard model extended with bond-charge--site-charge interactions. Numerical results for the electrical conductivity, the density of states, and the spin- and charge-density correlation functions strongly suggest that the bond-charge--site-charge interaction plays a fundamental role in the occurrence of a metal-insulator transition and of ferromagnetic order.
We show numerically that the nature of the doping-induced metal-insulator transition in the two-dimensional Hubbard model with hopping matrix element ttt and Coulomb repulsion UUU is radically altered by the inclusion of a term WWW that depends upon a square of a single-particle nearest-neighbor hopping. This result is reached by computing the localization length ${\ensuremath{\xi}}_{l}$ in the insulating state. At W/t=0.05W/t=0.05W/t=0.05 and U/t=4U/t=4U/t=4, we find results consistent with ${\ensuremath{\xi}}_{l}\ensuremath{\sim}|\ensuremath{\mu}\ensuremath{-}{\ensuremath{\mu}}_{c}{|}^{\ensuremath{-}1/2}$ where ${\ensuremath{\mu}}_{c}$ is the critical chemical potential. In contrast, ${\ensuremath{\xi}}_{l}\ensuremath{\sim}|\ensuremath{\mu}\ensuremath{-}{\ensuremath{\mu}}_{c}{|}^{\ensuremath{-}1/4}$ for the Hubbard model at U/t=4U/t=4U/t=4. At half-filling, we calculate the density of states $N(\ensuremath{\omega})$. The large value of $N(\ensuremath{\omega})$ in the vicinity of $\ensuremath{\omega}={\ensuremath{\mu}}_{c}$ present at W=0W=0W=0 is suppressed with growing values of WWW. At finite doping, the ddd-wave pair-field correlations are enhanced with growing values of WWW. The numerical results imply that at finite values of WWW doping the antiferromagnetic Mott insulator leads to a ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ superconductor.
Laughlin's construction of exact gossamer ground states is applied to normal metals. We show that for each variational parameter 0<=g<=1, the paramagnetic or ferromagnetic Gutzwiller wave function is the exact ground state of an extended Hubbard model with correlated hopping, with arbitrary particle density, non-interacting dispersion, and lattice dimensionality. The susceptibility and magnetization curves are obtained, showing that the Pauli susceptibility is enhanced by correlations. The elementary quasiparticle excitations are gapless, except for a half-filled band at g=0, where a Mott transition from metal to insulator occurs.