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Physical review. B, Condensed matter

Itinerant ferromagnetism in the two-dimensionalt- t′ Hubbard model

Liliana Arrachea

Published Oct 15, 2000• 20 citations
Publisher

Abstract

Using exact diagonalization techniques, the Hubbard model with hopping between nearest (t) and next-nearest neighbors ${(t}^{\ensuremath{'}})$ is studied in a two-dimensional cluster with $4\ifmmode\times\else\texttimes\fi{}4$ sites. Within a range of values of ${t}^{\ensuremath{'}}<0$ and low densities, states with different total spin are degenerate in the noninteracting system. At a finite value of the Coulomb repulsion U, states with high spin are energetically favored and the ground state can be fully polarized. The behavior of the density of states differs from that obtained within the Hartree-Fock approximation. The low energy region of the density of states (DOS) for the majority spins remains weakly modified by U. Our results bring further support to the idea that itinerant ferromagnetism occurs in strongly correlated systems with high noninteracting DOS at the bottom of the band.

DOI
10.1103/physrevb.62.10033

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Using exact diagonalization techniques, the Hubbard model with hopping between nearest (t) and next-nearest neighbors (t\ensuremath′){(t}^{\ensuremath{'}})(t\ensuremath′) is studied in a two-dimensional cluster with 4\ifmmode×\else\texttimes\fi44\ifmmode\times\else\texttimes\fi{}44\ifmmode×\else\texttimes\fi4 sites. Within a range of values of t\ensuremath′<0{t}^{\ensuremath{'}}<0t\ensuremath′<0 and low densities, states with different total spin are degenerate in the noninteracting system. At a finite value of the Coulomb repulsion U, states with high spin are energetically favored and the ground state can be fully polarized. The behavior of the density of states differs from that obtained within the Hartree-Fock approximation. The low energy region of the density of states (DOS) for the majority spins remains weakly modified by U. Our results bring further support to the idea that itinerant ferromagnetism occurs in strongly correlated systems with high noninteracting DOS at the bottom of the band.
We study the magnetic properties of the two-dimensional Hubbard model with nearest-neighbor (t) and next-nearest-neighbor (t2{t}_{2}t2​) hopping and on-site repulsion U. We first calculate the mean-field phase diagram as a function of band filling and U. Because of the Van Hove singularity in the density of states, we find a ferromagnetic phase extending to zero U for certain band filling. For the half-filled band case, antiferromagnetism sets in at a finite value of U if t2{t}_{2}t2​\ensuremath{\ne}0. We study the behavior of spin-spin correlation functions for small lattices of up to N=64 atoms using Monte Carlo simulations, as well as exact diagonalization for N=4. Our results show enhanced ferromagnetic correlations in some regions, but apparently no ferromagnetic long-range order. In the half-filled case, our numerical results are consistent with a nonzero critical U. For a non-half-filled band our results suggest that there is no long-range order.
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.
We study the one-dimensional Hubbard model with next-nearest-neighbor hopping by means of the numerical diagonalization for finite-size clusters. It is found that the ground state is evidently partially spin-polarized in a wide region of intermediate values of on-site Coulomb repulsion, which provides the first example as a minimal model without orbital degeneracy. Analysis of correlation functions makes it clear that the partially spin-polarized states form a spin polaron. Polaron's size grows with the increasing interaction.
Using an improved version of the projection quantum Monte Carlo technique, we study the square-lattice Hubbard model with nearest-neighbor hopping ttt and next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$ by simulation of lattices with up to $20\ifmmode\times\else\texttimes\fi{}20$ sites. For a given ${R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}2t}^{\ensuremath{'}}/t$, we consider that filling which leads to a singular density of states of the noninteracting problem. For repulsive interactions, we find an itinerant ferromagnet (antiferromagnet) for R=0.94R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.94R=0.94 ( R=0.2R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.2R=0.2). This is consistent with the prediction of the TTT-matrix approximation, which sums the most singular set of diagrams.
The authors investigated the frustration effect when next-nearest-electron hopping causes itinerant ferromagnetism in a one-dimensional Hubbard model.By using the exact diagonalization method and the density-matrix renormalization-group technique,it was shown that the next-nearest electron hopping term stabilizes the ferromagnetic state for a wide range of electron interactions U and electron concentrations n when the system is small.Furthermore,by calculating the local spin-spin correlation function,we found the ferromagnetic state becomes unstable as the length of the system increases.A further study showed that the ferromagnetic relationships of the system become weaker when the system's size increases.In addition,the system will transit to the anti-ferromagnetic correlation when the system reaches critical length.These observed results demonstrate on the one hand that an itinerant ferromagnetic phase exists in the electron-mixing area of small-sized material in the one-dimensional Hubbard model,and on the other hand,these observations should be helpful in understanding the origin of the itinerant ferromagnetism observed recently in some metallic and metallic oxide clusters.
Since its introduction in 1963, the Hubbard model has becomes one of the most popular models used in the literature to study cooperative phenomena in narrow-band metals (ferromagnetism, metal-insulator transitions, charge-density waves, high-Tc superconductivity). Amongst all these cooperative phenomena, the problem of itinerant ferromagnetism in the Hubbard model has the longest history. However, in spite of an impressive research activity in the past, the underlying physics (microscopic mechanisms) that leads to the stabilization of itinerant ferromagnetism in Hubbard model (narrow-band metals) is still far from being understood. In this review we present our numerical results concerning this subject, which have been reached by small cluster exact diagonalization, density matrix renormalization group and quantum Monte Carlo calculations within various extensions of the Hubbard model. Particular attention is paid to a description of crucial mechanisms (interactions) that support the stabilization of the ferromagnetic state, and namely: (i) the long-range hopping, (ii) the correlated hopping, (iii) the long-range Coulomb interaction, (iv) the flat bands and (v) the lattice structure. Most of the presented results have been obtained for the one-dimensional case, but the influence of the increasing dimension of the system on the ferromagnetic state is also intensively discussed.