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IOSR Journal of Applied Physics

Dynamics of Twointeracting Electronsinthree-Dimensional Lattice

Edison A. Enaibe

Published Jan 1, 2013• 0 citations
Publisher

Abstract

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.

DOI
10.9790/4861-0427584

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•Jan 1, 2013•0 citations

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•May 26, 2023•0 citations
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.
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.
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 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.
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 In this work for an interacting electrons system that obeys the Hubbard model, a new quantum Monte Carlo algorithm introduces for calculation of average Green function. This algorithm is applied to investigate the effects of electrons onsite Coulomb repulsion on the band structure of a square lattice in both single-site approximations such as dynamical mean field theory (DMFT) and multi-site approximations such as effective medium supercell approximation (EMSCA). The advantages of our algorithm in comparison to the Hirsch-Fye algorithm and also the Blankenbecler, Scalapino, and Sugar (BSS) algorithm are the elimination of instabilities resulting from the Metropolis algorithm in the accepting and rejecting configurations, stability at low temperatures, the elimination of systematic errors resulting from the update of the Green's function in the quantum Monte Carlo process, and considering different probabilities for each possible configuration. Finally, by using our algorithm, it is possible to calculate the interacting three-dimensional system's band structure and the density of states that obey the Hubbard model. We have applied our algorithm to an interactive two-dimensional square lattice. As a result, phase transition boundaries can be easily recognized through calculated bands for different repulsions. Our results show that critical Coulomb repulsion values for Mott transition are uc=9.05t and uc=2.4t for DMFT and BEMSCA respectively. This means that DMFT significantly overestimates band splitting due to electrons' Coulomb repulsion. We found by starting at low repulsions and then increasing electrons' Coulomb repulsion, a partially flatted valance band around the center of the first Brillouin zone appears, but disappears at high repulsions.