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Journal de Physique I

Density of States in the t′-Hubbard Model: Exact Diagonalisation Results

Werner Fettes, I. Morgenstern, Thomas Husslein, Hans‐Georg Matuttis, Johannes Maria Singer, C. Baur

Published Apr 1, 1995• 7 citations
Publisher

Abstract

We calculated the density of states in a Hubbard model with nearest and next nearest neighbour hopping. Using an exact diagonalisation technique, we examined this model in a wide area of parameters. The density of states was calculated for different fillings and for positive and negative interaction U. The additional hopping to the next nearest neighbour sites has different effects on the gap between the particle and hole spectrum compared to the pure Hubbard model.

DOI
10.1051/jp1:1995139

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We calculated the density of states in a Hubbard model with nearest and next nearest neighbour hopping. Using an exact diagonalisation technique, we examined this model in a wide area of parameters. The density of states was calculated for different fillings and for positive and negative interaction U. The additional hopping to the next nearest neighbour sites has different effects on the gap between the particle and hole spectrum compared to the pure Hubbard model.
We calculate the magnetic phase diagram of the Hubbard model for a Bethe lattice with nearest-neighbour (NN) hopping t 1 and next-nearest-neighbour (NNN) hopping t 2 in the limit of infinite coordination. We use the amplitude t 2 / t 1 of the NNN hopping to tune the density of states (DOS) of the non-interacting system from a situation with particle–hole symmetry to an asymmetric one with van-Hove singularities at the lower ( t 2 / t 1 >0) respectively upper ( t 2 / t 1 <0) band edge for large enough | t 2 / t 1 |. For this strongly asymmetric situation, we find rather extended parameter regions with ferromagnetic states and regions with antiferromagnetic states.
Recent refinements of analytical and numerical methods have improved our understanding of the ground-state phase diagram of the two-dimensional (2D) Hubbard model. Here, we focus on variational approaches, but comparisons with both quantum cluster and Gaussian Monte Carlo methods are also made. Our own ansatz leads to an antiferromagnetic ground state at half filling with a slightly reduced staggered order parameter (as compared to simple mean-field theory). Away from half filling, we find d-wave superconductivity, but confined to densities where the Fermi surface passes through the antiferromagnetic zone boundary (if hopping between both nearest-neighbour and next-nearest-neighbour sites is considered). Our results agree surprisingly well with recent numerical studies using the quantum cluster method. An interesting trend is found by comparing gap parameters Δ (antiferromagnetic or superconducting) obtained with different variational wave functions. Δ varies by an order of magnitude and thus cannot be taken as a characteristic energy scale. In contrast, the order parameter is much less sensitive to the degree of sophistication of the variational schemes, at least at and near half filling.
Using exact diagonalization techniques, we study one dynamical hole in the two-dimensional t-J and Hubbard models on a square lattice including a next-nearest-neighbor hopping t'. We present the phase diagram in the parameter space (J/t,t'/t), discussing the ground-state properties of the hole. At J=0, a crossing of levels exists at some value of t' separating a ferromagnetic from an antiferromagnetic ground state. For nonzero J, at least four different regions appear where the system behaves like an antiferromagnet or a (not fully saturated) ferromagnet. We study the quasiparticle behavior of the hole, showing that for small values of \ensuremath{\Vert}t'\ensuremath{\Vert} the previously presented string picture is still valid. We also find that, for a realistic set of parameters derived from the Cu-O Hamiltonian, the hole has momentum (\ensuremath{\pi}/2,\ensuremath{\pi}/2), suggesting an enhancement of the p-wave superconducting mode due to the second-neighbor interactions in the spin-bag picture. Results for the t-t'-U model are also discussed with conclusions similar to those of the t-t'-J model. In general we found that t'=0 is not a singular point of these models.
Superconducting phase diagram of the extended Hubbard model supplemented with interaction and hopping terms exceeding the nearest-neighbour distance in range is analysed systematically at different band filling and temperature values in a mean-field approximation. The obtained results clearly emphasize the importance of next-nearest-neighbour terms in developing the main superconducting phases of different symmetries at a given point of the phase diagram; in particular, critical temperatures TT , zero temperature gap amplitude values Δ0, Δ0/T c ratios, doping and temperature dependences are all strongly influenced by next-nearest-neighbour contributions.