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International Journal of Modern Physics B

METAL-INSULATOR TRANSITIONS AND STRONG ELECTRON CORRELATIONS

Kristel F. L. Michielsen

Published Jun 30, 1993• 16 citations
Publisher

Abstract

An overview of lattice models for strongly correlated electrons is given. A detailed study is presented of a model recently introduced by Montorsi and Rasetti. Analytical, exact diagonalization and Quantum Monte Carlo techniques are employed to investigate the static and dynamic properties of this model. The complete ground state phase diagram of the one-, two- and three-dimensional model is given. The Montorsi-Rasetti model is shown to exhibit a metal-insulator transition of the Mott type, independent of the dimensionality of the lattice, and has a ferromagnetic phase. Results for the two-dimensional Montorsi-Rasetti model strongly suggest the occurrence of a phase transition at finite temperatures.

DOI
10.1142/s0217979293002961

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An overview of lattice models for strongly correlated electrons is given. A detailed study is presented of a model recently introduced by Montorsi and Rasetti. Analytical, exact diagonalization and Quantum Monte Carlo techniques are employed to investigate the static and dynamic properties of this model. The complete ground state phase diagram of the one-, two- and three-dimensional model is given. The Montorsi-Rasetti model is shown to exhibit a metal-insulator transition of the Mott type, independent of the dimensionality of the lattice, and has a ferromagnetic phase. Results for the two-dimensional Montorsi-Rasetti model strongly suggest the occurrence of a phase transition at finite temperatures.
We study the transitions from band insulator to metal to Mott insulator in the ionic Hubbard model on a two-dimensional square lattice using determinant quantum Monte Carlo. Evaluation of the temperature dependence of the conductivity demonstrates that the metallic region extends for a finite range of interaction values. The Mott phase at strong coupling is accompanied by antiferromagnetic order. Inclusion of these intersite correlations changes the phase diagram qualitatively compared to dynamical mean field theory.
In this article, we review our recent work on quantum phase transition in two-dimensional strongly correlated fermion systems. We discuss the metal–insulator transition properties of these systems by calculating the density of states, double occupancy, and Fermi surface evolution using a combination of the cellular dynamical mean-field theory (CDMFT) and the continuous-time quantum Monte Carlo algorithm. Furthermore, we explore the magnetic properties of each state by defining magnetic order parameters. Rich phase diagrams with many intriguing quantum states, including antiferromagnetic metal, paramagnetic metal, Kondo metal, and ferromagnetic insulator, were found for the two-dimensional lattices with strongly correlated fermions. We believe that our results would lead to a better understanding of the properties of real materials.
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.
Exact diagonalization and quantum Monte Carlo methods are used to explore the zero-temperature phase diagram of a simplified Hubbard model extended with bond-charge--site-charge interactions. Numerical results for the grand potential and for its first derivatives with respect to the Coulomb potential and the chemical potential strongly suggest the occurrence of first-order phase transitions. It is shown that there is a close analogy between the first-order ground-state phase transitions in this quantum system and the phase transitions in classical (P,V,T) systems.