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Australian Journal of Physics

Correlation Effects of Third-order Perturbation in the Extended Hubbard Model

CZ Wei, H. Q. Nie, L. Li, KY Zhang

Published Oct 1, 1989• 0 citations
Publisher

Abstract

Using the local approach, we have performed a third·order perturbation calculation to investigate the effects of intra-atomic electron correlation and electron and spin correlation between nearest neighbour sites in the extended Hubbard model. We found that significant correction of the third order over the second order results and, in comparison with the results of the third-order perturbation where only the intra-atomic electron correlation is included, the influence of the electron and spin correlation between nearest neighbour sites on the correlation energy is non-negligible.

DOI
10.1071/ph890565

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Using the local approach, we have performed a third·order perturbation calculation to investigate the effects of intra-atomic electron correlation and electron and spin correlation between nearest neighbour sites in the extended Hubbard model. We found that significant correction of the third order over the second order results and, in comparison with the results of the third-order perturbation where only the intra-atomic electron correlation is included, the influence of the electron and spin correlation between nearest neighbour sites on the correlation energy is non-negligible.
The local approach to electron correlation in the Hubbard model has been extended to include charge and spin correlations between nearest neighbours. Both these effects are particularly important near the half-filled band and further stabilise local moments. Polarisation induced by local moments is shown to be antiferromagnetic independently of the band filling. A considerable gain in energy connected with the formation of the polarisation cloud indicates that short-range order should exist also at relatively high temperatures.
In this paper, we generalized the perturbation approach to study the quasi-two-dimension extended Hubbard model. This model is characterizing by intra-chain electron hopping t, on-site Column interaction U, nearest-neighbor interaction V, and inter-chain electron hopping t′ and nearest-neighbor interaction V′. An effective Hamiltonian up to sixth-order in t/U, t/V, t/V′, t′/U, t′/V and t′/V′ expansion was obtained and the spin-spin correlation functions were calculated. We presented results for t=t′, V=V′.
Based on the intraatomic electron correlation and the interatomic electron and spin correlation, the local approach has been used to the Hubbard model. The term〈OOH〉which was neglected in the general calculation is retained in our calculation. Camparing our results with those of the general calculation, we find that when U is large, the effects of the term〈OOH〉in the paramagnetic phase can not be heglected for calculating the correlation energy, the ground state energy, the local moments and the antiferromagnetic polarization around the local moments. To estimate more accurately the electron correlation effects, one has to calculate to higher orders and check he convergency of the series.