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JOURNAL OF ADVANCES IN PHYSICS

A VARIATIONAL THEORY OF QUASI-PARTICLES IN A 3D N x N x N CUBIC LATTICE

Edison A. Enaibe, Akpata Erhieyovwe, Osafile E. Omosede

Published Jul 21, 2014• 0 citations
Publisher

Abstract

The single-band Hubbard Hamiltonian study faces a serious limitation and difficulty as we move away from finite - size lattices to larger N - dimensional lattices. Thus there is the needto develop the means of overcoming the finite - size lattice defects as we pass on to a higher dimension.In this work, a quantitative approximation to the one-band Hubbard model is presented using a variational analytic approach. The goal of this work, therefore, is to explore quantitatively the lowest ground-state energy and the pairing correlations in 3D N x N x N lattices of the Hubbard model. We developed the unit step model as an approximate solution to the single-band Hubbard Hamiltonian to solve variationallythe correlation of two interacting elections on a three-dimensional cubic lattice. We also showed primarily how to derive possible electronic states available for several even and odd3D lattices, although, this work places more emphasis on a 3D 5 x 5 x 5 lattice. The results emerging from our present study compared favourablywith the results of Gutzwillervariational approach (GVA) and correlated variational approach (CVA), at thelarge limit of the Coulomb interaction strength (U/4t). It is revealed in this study, 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.

DOI
10.24297/jap.v5i1.6101

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The single-band Hubbard Hamiltonian study faces a serious limitation and difficulty as we move away from finite - size lattices to larger N - dimensional lattices. Thus there is the needto develop the means of overcoming the finite - size lattice defects as we pass on to a higher dimension.In this work, a quantitative approximation to the one-band Hubbard model is presented using a variational analytic approach. The goal of this work, therefore, is to explore quantitatively the lowest ground-state energy and the pairing correlations in 3D N x N x N lattices of the Hubbard model. We developed the unit step model as an approximate solution to the single-band Hubbard Hamiltonian to solve variationallythe correlation of two interacting elections on a three-dimensional cubic lattice. We also showed primarily how to derive possible electronic states available for several even and odd3D lattices, although, this work places more emphasis on a 3D 5 x 5 x 5 lattice. The results emerging from our present study compared favourablywith the results of Gutzwillervariational approach (GVA) and correlated variational approach (CVA), at thelarge limit of the Coulomb interaction strength (U/4t). It is revealed in this study, 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.
In this work, we developed the unit step model as an approximate solution to the single-band Hubbard Hamiltonian to solve variationally strongly correlated interacting elections on a two-dimensional (2D) square lattice. We also showed primarily how to derive possible electronic states available for several 2D N x N square lattices, although, with special emphasis on a 2D 5 x 5 square lattice. The results emerging from our present study was compared with the results of Gutzwiller variational approach (GVA) and correlated variational approach (CVA), at the large limit of the Coulomb interaction strength (U/4t).The approximation to the Hubbard Hamiltonian study is actually necessary because of the strong limitation and difficulty pose by the Hubbard Hamiltonian as we move away from finite - size lattices to larger N - dimensional lattices. Thus this work has provided a means of overcoming the finite - size lattice defects as we pass on to a higher dimension. We have shown in this study, 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. This study reveals that when the Coulomb interaction is zero, that is, for free electron system (non-interacting), the variational parameters which describe the probability distribution of lattice electron system is the same. The spectra intensity increases with increase in the interaction strength and it decreases to zero when the interaction strength is made negatively large. Keywords : unit step Hamiltonian, Hubbard Hamiltonian, 3D cubic lattice, interaction strength, total energy, lattice separation.
The physical property of strongly correlated electrons on a three-dimensional (3D) 3 x 3 x 3 cluster of the simple cubic lattice is here presented.In the work we developed the unit step Hamiltonian as a solution to the single band Hubbard Hamiltonian for the case of two electrons interaction in a finite three dimensional lattice.The approximation to the Hubbard Hamiltonian study is actually necessary because of the strong limitation and difficulty pose by the Hubbard Hamiltonian as we move away from finite -size lattices to larger N -dimensional lattices.Thus this work has provided a means of overcoming the finite -size lattice defects as we pass on to a higher dimension.We have shown in this study, 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.This study reveals that when the Coulomb interaction is zero, that is, for free electron system (non-interacting), thevariational parameters which describe the probability distribution of lattice electron system is the same.The spectra intensity for on-site electrons is zero for all values of the interaction strength.
We study the one-band Hubbard model in a three dimensional simple cubic lattice, with periodic boundary conditions, by means of a variational analytic approach. Ground state energies and pairing correlations depend implicitly on the interaction strength (U/41). It is shown that for two electrons, the interaction is always repulsive in the ground state for any positive value of the on-site Coulomb interaction U. Implications of this result for superconductivity are also discussed. Nigerian Journal of Physics Vol. 16(2) 2004: 167-171
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.
Abstract The study of ground-state properties of the Fermi-Hubbard model is a long-lasting task in the research of strongly correlated systems, and is crucial for the understanding of notable quantum phenomena including superconductivity and magnetism. Owing to the exponentially growing complexity of the system, a quantitative analysis usually demands high computational cost and is restricted to small samples, especially in two or higher dimensions. Here, we introduce a variational method in the frame of fermionic Gaussian states, and obtain the ground states of one- and two-dimensional attractive Hubbard models via imaginary-time evolution. We calculate the total energy and benchmark the results in a wide range of interaction strength and filling factor with those obtained via exact two-body results, the density matrix renormalization group based on matrix product states (MPS), and projector Quantum Monte Carlo (QMC) method. For both 1D and 2D cases, the Gaussian variational method presents accurate results for total energy with a maximum systematic error ∼ 4 % in the intermediate interaction region. The accuracy of these results has negligible dependence on the system size. We further calculate the double occupancy and find excellent agreement with MPS and QMC, as well as the experimental results of cold quantum gases in optical lattices. The results suggest that the Gaussian pairing state is a good approximation to the ground states of attractive Hubbard model, in particular in the strong and weak coupling limits. Moreover, we generalize the method to the attractive Hubbard model with a finite spin-polarization, which can be mapped to the repulsive interaction case via particle-hole transformation, and obtain accurate results of ground state energy and double occupancy. Our work demonstrates the ability of the Gaussian variational method to extract ground state properties of strongly correlated many-body systems with negligible computational cost, especially of large size and in higher dimensions.
We investigate the ground state of the two-dimensional single-band Hubbard model and three-band Hubbard model (d-p model) by using a variational Monte Carlo method. We employ an optimization variational Monte Carlo method. In this method the many-body wave function is improved and optimized by introducing variational parameters in the form: ψ = exp(- S ) ψ 0 where ψ 0 is a wave function, for example, the Gutzwiller function, and S is an operator used to include the many-body effect. The strong magnetic correlation is induced by the on-site Coulomb repulsive interaction U . The magnetic correlation plays a significant role in correlated electron systems as an origin of electron pairing as well as a main competitor of superconductivity. High-temperature superconductivity occurs in the strongly correlated region where U is greater than the bandwidth. We investigate the stability of antiferromagnetic state in the three-band d-p model.