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APS

Lattice effects in a two-band Hubbard model

M. Gulácsi, Annette Bussmann‐Holder, A. R. Bishop

Published Mar 1, 1998• 0 citations
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PHASE SEPARATION IN THE TWO-DIMENSIONAL HUBBARD MODEL

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In this paper, we study phase separation in the two-dimensional single-band Hubbard model with the unrestricted Hartree-Fock(UHF) method and the restricted Hartree-Fock (RHF) method. We perform the calculation for square lattices and rectangle lattices. It is observed that the stripe phase exists and it depends on three aspects: geometry of the lattice, Coulomb interaction U and band filling n. To gain more physical insights, we consider the Hubbard model with spin dependent hoppings: t↑ and t↓, and study the effect of varying [Formula: see text] on the phase separation.

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Edison A. Enaibe, Akpata Erhieyovwe, Nelson Oyindenyifa Nenuwe

The major characteristic of the single-band Hubbard model (HM) is to redistribute electrons at a uniform lattice separation distance within the molecular lattice. Hence, it is only linearly dependent on lattice separations distance. Thus the single-band Hubbard model does not consider the lattice gradient encountered by interacting electrons as they hop from one lattice point to another. The linear dependence of the single-band HM only on lattice separations would certainly not provide a thorough understanding of the interplay between interacting electrons. Consequently, we have in this study developed a gradient Hamiltonian model to solve the associated defects pose by the limitations of the single band Hubbard model. Thus, we utilized the single-band HM and the gradient Hamiltonian model to study the behaviour of two interacting electrons on a two dimensional (2D) 9X9 square lattice. It is revealed in this study that the results of the ground-state energies produced by the gradient Hamiltonian model are more favourable when compared to those of the single-band Hubbard model. We have also shown in this work, that the repulsive Coulomb interaction which in part leads to the strong electronic correlations, would indicate that the two electron system prefer not to condense into s-wave superconducting singlet state (s = 0), at high positive values of the interaction strength.

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Deriving an extended one-band Hubbard model for cuprate superconductors

Karl-Oskar Backlund

The so-called three-band Hubbard model is generally believed to be a good model for fermions on a CuO 2 lattice and to contain key features allowing to understand high-temperature superconductivity in the cuprates. A simpler and more popular model is the one-band Hubbard model. In this thesis,an extended one-band Hubbard model is derived from the three-band model. First, some mathematical background is given, as well as an introduction to Hubbard-like models. Then, to derive the extended one-band Hubbard model, the CuO 2 lattice is divided into clusters of one Cu and two O sites, and a variant of the Feshbach method is used to replace each such cluster by a single lattice site. To nd a suitable one-band model, all Hamiltonian matrix elements are matched between the two models. Finally, dierent sets of three-band parameters are considered, and it is studied how this aects the parameters in the extended one-band Hubbard model.

•Jan 1, 2011•1 citation
In this paper, we study phase separation in the two-dimensional single-band Hubbard model with the unrestricted Hartree-Fock(UHF) method and the restricted Hartree-Fock (RHF) method. We perform the calculation for square lattices and rectangle lattices. It is observed that the stripe phase exists and it depends on three aspects: geometry of the lattice, Coulomb interaction U and band filling n. To gain more physical insights, we consider the Hubbard model with spin dependent hoppings: t↑ and t↓, and study the effect of varying [Formula: see text] on the phase separation.
The major characteristic of the single-band Hubbard model (HM) is to redistribute electrons at a uniform lattice separation distance within the molecular lattice. Hence, it is only linearly dependent on lattice separations distance. Thus the single-band Hubbard model does not consider the lattice gradient encountered by interacting electrons as they hop from one lattice point to another. The linear dependence of the single-band HM only on lattice separations would certainly not provide a thorough understanding of the interplay between interacting electrons. Consequently, we have in this study developed a gradient Hamiltonian model to solve the associated defects pose by the limitations of the single band Hubbard model. Thus, we utilized the single-band HM and the gradient Hamiltonian model to study the behaviour of two interacting electrons on a two dimensional (2D) 9X9 square lattice. It is revealed in this study that the results of the ground-state energies produced by the gradient Hamiltonian model are more favourable when compared to those of the single-band Hubbard model. We have also shown in this work, that the repulsive Coulomb interaction which in part leads to the strong electronic correlations, would indicate that the two electron system prefer not to condense into s-wave superconducting singlet state (s = 0), at high positive values of the interaction strength.
The so-called three-band Hubbard model is generally believed to be a good model for fermions on a CuO 2 lattice and to contain key features allowing to understand high-temperature superconductivity in the cuprates. A simpler and more popular model is the one-band Hubbard model. In this thesis,an extended one-band Hubbard model is derived from the three-band model. First, some mathematical background is given, as well as an introduction to Hubbard-like models. Then, to derive the extended one-band Hubbard model, the CuO 2 lattice is divided into clusters of one Cu and two O sites, and a variant of the Feshbach method is used to replace each such cluster by a single lattice site. To nd a suitable one-band model, all Hamiltonian matrix elements are matched between the two models. Finally, dierent sets of three-band parameters are considered, and it is studied how this aects the parameters in the extended one-band Hubbard model.