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Journal of Applied Physics

Correlation and Magnetic Effects in Narrow Energy Bands

George W. Pratt, Laurent G. Caron

Published Feb 1, 1968• 28 citations
Publisher

Abstract

Correlation and magnetic effects in narrow bands are studied using a new type of self-consistent cluster treatment of Hubbard's Hamiltonian. Here the dynamics consist of electron hopping between lattice sites and Coulomb repulsion between electrons only on the same site. The environment of the cluster is regarded as a particle reservoir, one such for each spin. Hopping between the cluster and reservoirs is described by fermion source terms. It is required that the thermodynamic average of the particle currents of each spin within the cluster equal the corresponding particle exchange between cluster and reservoir. Electron motion in the system is examined for varying ratios of the strength of the hopping to the Coulomb repulsion. This is done as a function of electron density, spin, temperature, and external magnetic field. A Mott transition is found under dynamical conditions close to those predicted by Hubbard when there is one particle per site. For 〈n〉 ≠ 1, no metal insulator transition exists although discontinuous changes in the cluster-reservoir coupling occur. The magnetic susceptibility of the cluster reveals antiferromagnetic behavior for 〈n〉 = 1, ferromagnetic behavior for 〈n〉 > 1, and partial ferromagnetic character for n < 1. This appears to agree with Nagoaka's results.

DOI
10.1063/1.2163493

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Mott Transitions

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Introduction In this chapter we study metal–insulator transitions which occur due to correlations between the charge carriers. This quantum phase transitions results from the competition between kinetic energy and Coulomb repulsion where the latter has the tendency to localise the electrons. The simplest model which describes this competition is the one-band Hubbard model with its two energy scales, the bandwidth W and the Coulomb repulsion U between electrons of opposite spins on the same site. For a fixed density of electrons, n = 1; as the ratio U/W increases, we expect to find a zero-temperature phase transition from a metallic state to an insulator where the electrons are frozen at the lattice sites. The method employed here to investigate this transition is the Gutzwiller approach (Gutzwiller, 1965). This is a variational method which played an important role in providing a framework for the ideas of Mott on the problem of the metal–insulator transition (Mott, 1974). On the metallic side of the transition, this approach describes a metal with renormalised Fermi liquid parameters, essentially with enhanced effective mass and uniform susceptibility. This is the so-called highly correlated electron gas (Brinkman and Rice, 1970) for which the metal oxide V 2 O 3 is the prototype system. In the insulating side, Gutzwiller's approximation yields a noninteracting system of localised electrons. This insulating phase is incompressible , i.e. has zero compressibility and infinite zero temperature susceptibility. The latter is not a consequence of interactions but simply due to the divergence of the Curie susceptibility, χ ∝ 1 /T , of non-interacting moments at T = 0. Then, in Gutzwiller's approach the transition is from a paramagnetic metal to a paramagnetic insulator. We will continue using the designation Mott transition to describe this type of phase transition where the insulating phase has no long-range magnetic order. In real systems, most frequently, localisation due to interactions is accompanied by the appearance of antiferromagnetic order.

Cambridge University Press eBooks•Jan 1, 2017•0 citations
Correlation and magnetic effects in narrow bands are studied using a new type of self-consistent cluster treatment of Hubbard's Hamiltonian. Here the dynamics consist of electron hopping between lattice sites and Coulomb repulsion between electrons only on the same site. The environment of the cluster is regarded as a particle reservoir, one such for each spin. Hopping between the cluster and reservoirs is described by fermion source terms. It is required that the thermodynamic average of the particle currents of each spin within the cluster equal the corresponding particle exchange between cluster and reservoir. Electron motion in the system is examined for varying ratios of the strength of the hopping to the Coulomb repulsion. This is done as a function of electron density, spin, temperature, and external magnetic field. A Mott transition is found under dynamical conditions close to those predicted by Hubbard when there is one particle per site. For 〈n〉 ≠ 1, no metal insulator transition exists although discontinuous changes in the cluster-reservoir coupling occur. The magnetic susceptibility of the cluster reveals antiferromagnetic behavior for 〈n〉 = 1, ferromagnetic behavior for 〈n〉 > 1, and partial ferromagnetic character for n < 1. This appears to agree with Nagoaka's results.
The description of a solid at a microscopic level is complex, involving the interaction of a huge number of its constituents, such as ions or electrons. The Hubbard model used in this research describes interacting electrons in narrow energy bands, with application to problems as diverse as high – Tc superconductivity, band magnetism and the metal-insulator transition. This research seeks to solve one of the most challenging problems in Theoretical physics which is to describe electronic correlations. In this research the t – U Hubbard model is used to solve analytically and numerically using the exact diagonalization techniquesThis research work focused on the spin interaction and magnetic behavior of some systems and it is therefore an investigation into the various phenomena seen in the phase diagram of ferromagnetic systems. We studied the 2 electrons on 2 sites, 2 electrons on 3 sites and 2 electrons on 4 sites all in One-Dimension (1-D), where the onsite coulomb repulsion, U, and the hopping matrix element, t, were varies to determine their magnetic phase diagram.This results obtained shows that, as the values of the onsite coulomb repulsion, U, increases in all the lattice systems studied, the electronic correlation that favours ferromagnetism gets stronger, but there were no clear transition, and at some point the lattices loss its antiferromagnetic properties, hence the instability of ferromagnetism were established. It was also observed that as the hopping matrix element, t, increases the electronic correlation that favours ferromagnetism get stronger and the lattice begins to loss antiferromagnetic properties but beyond the transition point the lattice began to gain a much stronger antiferromagnetism, hence the ferromagnetism is unstable.
Correlation effects in the one-dimensional Hubbard model are studied by application of the L-resolvent method. The calculations are well beyond one-particle mean field approximation. All correlations involving two neighboring sites are included exactly and higher order correlations are approximated. The effects of varying temperature, band filling, Coulomb repulsion and external magnetic field are investigated. Two-site correlations for non-half-filled band fillings are calculated for the first time. Some exact relations between correlation functions are derived by electron-hole symmetry. Results indicate that short-range spin correlations always favor antiferromagnetic order. Large Coulomb repulsion induces a gap in the excitation spectrum and a metal-insulator transition is predicted as the Coulomb repulsion parameter is changed.
The description of a solid at a microscopic level is complex, involving the interaction of a huge number of its constituents, such as ions or electrons.The Hubbard model used in this research describes interacting electrons in narrow energy bands, with application to problems as diverse as high -Tc superconductivity, band magnetism and the metal-insulator transition.This research seeks to solve one of the most challenging problems in Theoretical physics which is to describe electronic correlations.In this research the t -U Hubbard model is used to solve analytically and numerically using the exact diagonalization techniques This research work focused on the spin interaction and magnetic behavior of some systems and it is therefore an investigation into the various phenomena seen in the phase diagram of ferromagnetic systems.We studied the 2 electrons on 2 sites, 2 electrons on 3 sites and 2 electrons on 4 sites all in One-Dimension (1-D), where the onsite coulomb repulsion, U, and the hopping matrix element, t, were varies to determine their magnetic phase diagram.This results obtained shows that, as the values of the onsite coulomb repulsion, U, increases in all the lattice systems studied, the electronic correlation that favours ferromagnetism gets stronger, but there were no clear transition, and at some point the lattices loss its antiferromagnetic properties, hence the instability of ferromagnetism were established.It was also observed that as the hopping matrix element, t, increases the electronic correlation that favours ferromagnetism get stronger and the lattice begins to loss antiferromagnetic properties but beyond the transition point the lattice began to gain a much stronger antiferromagnetism, hence the ferromagnetism is unstable.
To investigate the effects of electron correlation in narrow energy bands, a general formula of static spin susceptibility for interacting electron systems is derived. It is expressed in terms of the one-particle Green's function and its derivative with respect to the average number of the opposite spin electrons, the existence of the latter being the characteristic of electron correlation. The formula is applied to the case of Hubbard's improved approximation (Hubbard III), and gross feature of both the correlation and temperature dependences of the susceptibility is investigated in the insulating and metallic regions. The correlation in the metallic region is reduced for the Hubbard III case so that there occurs no ferromagnetism in a half-filled band.
We investigate two-site electronic correlations within generalized Hubbard model, which incorporates the conventional Hubbard model (parameters: t (hopping between nearest neighbours), U (Coulomb repulsion (attraction))) supplemented by the intersite Coulomb interactions (parameters: J (1) (parallel spins), J (2) (antiparallel spins)) and the hopping of the intrasite Cooper pairs (parameter: V ).As a first step we find the eigenvalues Eα and eigenvectors |E α of the dimer and we represent each partial Hamiltonian Eα|Eα Eα| (α = 1, 2, . . ., 16) in the second quantization with the use of the Hubbard and spin operators.Each dimer energy level possesses its own Hamiltonian describing different two-site interactions which can be active only in the case when the level will be occupied by the electrons.A typical feature is the appearance of two generalized t-J interactions ascribed to two different energy levels which do not vanish even for U = J (1) = J (2) = V = 0 and their coupling constants are equal to ±t in this case.In the large U -limit for J (1) = J (2) = V = 0 there is only one t-J interaction with coupling constant equal to 4t 2 /|U | as in the case of a real lattice.The competition between ferromagnetism, antiferromagnetism and superconductivity (intrasite and intersite pairings) is also a typical feature of the model because it persists in the case U = J (1) = J (2) = V = 0 and t = 0.The same types of the electronic, competitive interactions are scattered between different energy levels and therefore their thermodynamical activities are dependent on the occupation of these levels.It qualitatively explains the origin of the phase diagram of the model.We consider also a real lattice as a set of interacting dimers to show that the competition between magnetism and superconductivity seems to be universal for fermionic lattice models.
Introduction In this chapter we study metal–insulator transitions which occur due to correlations between the charge carriers. This quantum phase transitions results from the competition between kinetic energy and Coulomb repulsion where the latter has the tendency to localise the electrons. The simplest model which describes this competition is the one-band Hubbard model with its two energy scales, the bandwidth W and the Coulomb repulsion U between electrons of opposite spins on the same site. For a fixed density of electrons, n = 1; as the ratio U/W increases, we expect to find a zero-temperature phase transition from a metallic state to an insulator where the electrons are frozen at the lattice sites. The method employed here to investigate this transition is the Gutzwiller approach (Gutzwiller, 1965). This is a variational method which played an important role in providing a framework for the ideas of Mott on the problem of the metal–insulator transition (Mott, 1974). On the metallic side of the transition, this approach describes a metal with renormalised Fermi liquid parameters, essentially with enhanced effective mass and uniform susceptibility. This is the so-called highly correlated electron gas (Brinkman and Rice, 1970) for which the metal oxide V 2 O 3 is the prototype system. In the insulating side, Gutzwiller's approximation yields a noninteracting system of localised electrons. This insulating phase is incompressible , i.e. has zero compressibility and infinite zero temperature susceptibility. The latter is not a consequence of interactions but simply due to the divergence of the Curie susceptibility, χ ∝ 1 /T , of non-interacting moments at T = 0. Then, in Gutzwiller's approach the transition is from a paramagnetic metal to a paramagnetic insulator. We will continue using the designation Mott transition to describe this type of phase transition where the insulating phase has no long-range magnetic order. In real systems, most frequently, localisation due to interactions is accompanied by the appearance of antiferromagnetic order.