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Acta Physica Polonica A

Ferromagnetic Ground State of Two-Band Hubbard Model with One Electron per Site

J. Schulenburg, Johannes Richter

Published Feb 1, 1997• 1 citation
Publisher

Abstract

We study the multiband mechanism to favour a ferromagnetic insulating ground state within a two-band Hubbard model.Besides perturbation theory we use exact diagonalization studies to examine the ground state of chains and 2D-lattices.According to second order perturbation theory the exact diagonalization yields a fully polarized ferromagnetic ground state, if the hopping between two ground state orbitals of neighbouring atoms t gg is small and the hopping between a ground state orbital and an excited orbital tge dominates.However, in contrast to the suggestion from the second order perturbation theory this ferromagnetic state is stable only for very small hopping integrals U » tge > t gg .For larger tge quantum interference effects lead to complex magnetic structures.

DOI
10.12693/aphyspola.91.367

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We study the multiband mechanism to favour a ferromagnetic insulating ground state within a two-band Hubbard model.Besides perturbation theory we use exact diagonalization studies to examine the ground state of chains and 2D-lattices.According to second order perturbation theory the exact diagonalization yields a fully polarized ferromagnetic ground state, if the hopping between two ground state orbitals of neighbouring atoms t gg is small and the hopping between a ground state orbital and an excited orbital tge dominates.However, in contrast to the suggestion from the second order perturbation theory this ferromagnetic state is stable only for very small hopping integrals U » tge > t gg .For larger tge quantum interference effects lead to complex magnetic structures.
Ferromagnetism in the one-dimensional Hubbard model with the next-nearest-neighbor hopping is explored by using the exact-diagonalization method in a small cluster and the equation-of-motion method in the thermodynamic limit with electron density n = 3/2. With these two complementary methods, it is found that an intermediate value of the next-nearest-neighbor hopping amplitude t1 tends to stabilize the fully polarized ferromagnetic state under the condition that the on-site coulomb interaction U is sufficiently large in our model. The ground-state phase diagram of the model is presented in the t1—U plane.
The extrapolation of small-cluster exact-diagonalization calculations is used to examine ferromagnetism in the one-dimensional Hubbard model with long-range and correlated hopping. It is found that the correlated hopping term stabilizes the ferromagnetic state for a wide range of electron interactions U and electron concentrations n. The critical value of the interaction strength Uc above which the ferromagnetic state becomes stable is calculated numerically and the ground-state phase diagram of the model is presented for physically the most interesting cases. 1 The Hubbard model has become, since its inception [1] in 1963, one of the most popular examples of a system of interacting electrons with short-range interactions. It has been used in the literature to study a great variety of many-body effects in metals, of which ferromagnetism, metal-insulator transitions, charge-density waves and superconductivity are the most common examples. Of all these cooperative phenomena the problem of ferromagnetism in the Hubbard model has the longest
Abstract The combination of small-cluster exact-diagonalization calculations and the quantum Monte Carlo method is used to examine ferromagnetism in the two-dimensional Hubbard model with a generalized type of hopping. It is found that the long-range hopping with exponentially decaying hopping amplitudes t ij ∼ − q Ri−Rj stabilizes the ferromagnetic state for a wide range of electron interactions U and electron concentrations n > 1. The critical value of the hopping parameter q c above which the ferromagnetic state becomes stable is calculated numerically and the ground-state phase diagram of the model is discussed for physically the most interesting cases.
The extrapolation of small-cluster exact-diagonalization calculations is used to examine ferromagnetism in the one-dimensional Hubbard model with a generalized type of hopping. It is found that the long-range hopping with power decaying hopping amplitudes ${(t}_{\mathrm{ij}}\ensuremath{\sim}{q}^{|i\ensuremath{-}j|})$ stabilizes the ferromagnetic state for a wide range of electron interactions U and electron concentrations n. The critical value of the interaction strength Uc(q){U}_{c}(q)Uc​(q) above which the ferromagnetic state becomes stable is calculated numerically and the ground-state phase diagram of the model (in the $U\ensuremath{-}q$ plane) is presented for physically the most interesting cases.
The phase diagram of the Hubbard model in an external magnetic field is examined by extrapolation of small-cluster exact-diagonalization calculations. Using a general expression for the hopping matrix elements (tij ~ q|i-j|) the influence of long-range hopping (band asymmetry) on ferromagnetism in this model is studied. It is found that the long-range hopping (nonzero q) stabilizes ferromagnetism in an external magnetic field for n > 1. In the opposite limit n≤1 the fully polarized ferromagnetic state is generally suppressed with increasing q. The critical value of magnetic field h below which the ferromagnetic state becomes unstable is calculated numerically.
We consider the standard repulsive Hubbard model with a flat lowest-energy band for two one-dimensional lattices (diamond chain and ladder) as well as for a two-dimensional lattice (bilayer) at half filling of the flat band. The considered models do not fall in the class of Mielke-Tasaki flat-band ferromagnets, since they do not obey the connectivity conditions. However, the ground-state ferromagnetism can emerge, if the flat band becomes dispersive. To study this kinetic-energy-driven ferromagnetism we use perturbation theory and exact diagonalization of finite lattices. We find as a typical scenario that small and moderate dispersion may lead to a ferromagnetic ground state for sufficiently large on-site Hubbard repulsion U>UcU>{U}_{c}U>Uc​, where Uc{U}_{c}Uc​ increases monotonically with the acquired bandwidth. However, we also observe for some specific parameter cases, that (i) ferromagnetism appears at already very small Uc{U}_{c}Uc​, (ii) ferromagnetism does not show up at all, (iii) the critical on-site repulsion Uc{U}_{c}Uc​ is a nonmonotonic function of the bandwidth, or that (iv) a critical bandwidth is needed to open the window for ground-state ferromagnetism.