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arXiv:cond-mat/0011407 · Condensed Matter Physics

STRONG COUPLING HARTREE-FOCK APPROXIMATION IN THE DYNAMICAL MEAN-FIELD THEORY

Andrij M. Shvaika

Published Jan 1, 2001• 1 citation
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Abstract

In the limit of infinite spatial dimensions, a thermodynamically consistent theory, which is valid for arbitrary value of the Coulombic interaction ( U < ∞ ), is built for the Hubbard model when the total auxiliary single-site problem exactly splits into four subspaces with different "vacuum states".Some analytical results are given for the Hartree-Fock approximation when the 4pole structure for Green's function is obtained: two poles describe contribution from the Fermi liquid component, which is ferromagnetic and dominant for small electron and hole concentrations ("overdoped case" of high-T c 's), whereas other two describe contribution from the non-Fermi liquid, which is antiferromagnetic and dominant close to half filling ("underdoped case").

DOI
10.5488/cmp.4.1.85

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In the limit of infinite spatial dimensions, a thermodynamically consistent theory, which is valid for arbitrary value of the Coulombic interaction ( U < ∞ ), is built for the Hubbard model when the total auxiliary single-site problem exactly splits into four subspaces with different "vacuum states".Some analytical results are given for the Hartree-Fock approximation when the 4pole structure for Green's function is obtained: two poles describe contribution from the Fermi liquid component, which is ferromagnetic and dominant for small electron and hole concentrations ("overdoped case" of high-T c 's), whereas other two describe contribution from the non-Fermi liquid, which is antiferromagnetic and dominant close to half filling ("underdoped case").
A perturbation theory scheme in terms of electron hopping, which is based on the Wick theorem for Hubbard operators, is developed. Diagrammatic series contain single-site vertices connected by hopping lines and it is shown that for each vertex the problem splits into the subspaces with ``vacuum states'' determined by the diagonal Hubbard operators and only excitations around these vacuum states are allowed. The rules to construct diagrams are proposed. In the limit of infinite spatial dimensions the total auxiliary single-site problem exactly splits into subspaces that allows to build an analytical thermodynamically consistent approach for a Hubbard model. Some analytical results are given for the simple approximations when the two-pole (alloy-analogy solution) and four-pole (Hartree-Fock approximation) structure for Green's function is obtained. Two poles describe contribution from the Fermi-liquid component, which is dominant for small electron and hole concentrations (``overdoped case'' of high-Tc′s),{T}_{c}'\mathrm{s}),Tc′​s), whereas other two describe contribution from the non-Fermi liquid and are dominant close to half-filling (``underdoped case'').
As a contribution to the study of the Hartree–Fock theory, we prove rigorously that the Hartree–Fock approximation to the ground state of the d-dimensional Hubbard model leads to saturated ferromagnetism when the particle density (more precisely, the chemical potential μ) is small and the coupling constant U is large, but finite. This ferromagnetism contradicts the known fact that there is no magnetization at low density, for any U, and thus shows that HF theory is wrong in this case. As in the usual Hartree–Fock theory, we restrict attention to Slater determinants that are eigenvectors of the z-component of the total spin, 𝕊z = ∑x nx,↑ - nx,↓, and we find that the choice 2𝕊z = N = particle number gives the lowest energy at fixed 0 < μ < 4d.
The diagrammatic formulation of the single-site approximation to the Hubbard model immediately yields the exact solution to the Falikov-Kimball model in infinite dimensions. By an extension of the alloy analogy, we then derive a two-fluid model, dividing self-consistently the electron system among itinerating and relatively localized particles. Our theory coincides with the CPA only the at half-filling and u=∞. We start by studying the mean field approximation to our theory and identify a phase boundary in the particle density-interaction strength (n−u) plane at which the Fermi liquid model breaks down. Then the effect of fluctuations in the Fermi liquid regime is considered and, finally, we construct, at half-filling, a model which interpolates between the Fermi liquid and the Mott insulating phases.
A strong-coupling expansion for the antiferromagnetic phase of the Hubbard model is derived in the framework of the slave-boson mean-field approximation. The expansion can be obtained in terms of moments of the density of states of freely hopping electrons on a lattice, which in turn are obtained for hypercubic lattices in arbitrary dimension. The expansion is given for the case of half-filling and for the energy up to fifth order in the ratio of hopping integral t over on-site interaction U, but can straightforwardly be generalized to the non-half-filled case and be extended to higher orders in t/U. For the energy the expansion is found to have an accuracy of better than 1% for U/t\ensuremath{\ge}8. A comparison is given with an earlier perturbation expansion based on the linear-spin-wave approximation and with a similar expansion based on the Hartree-Fock approximation. The case of an infinite number of spatial dimensions is discussed. \textcopyright{} 1996 The American Physical Society.
An approximate analytical scheme of the dynamical mean-field theory (DMFT), that is used for electron systems with Hubbard correlations and is exact in the limit of the infinite dimensionality of a space, is developed.The effective single-site problem arising in the framework of this method is formulated in terms of the auxiliary Fermi-field.The irreducible Green's function technique with the projecting on the Hubbard basis of Fermi-operators is used for its solution.A system of DMFT equations is obtained in the approximation which is a generalization of the Hubbard-III approximation and combines it with a self-consistent renormalization of the local electron levels.It is shown that the proposed approach includes as simple specific cases a number of known approximations (Hubbard-III, AA, MAA, . . . ) based on the assumption of the single-site structure of the electron selfenergy.
The applicability of the Hartree-Fock and random phase approximations to models of strongly correlated electrons is discussed. The 2D Hubbard model is analyzed. An antiferromagnetic phase (at half filling) and Fermi liquid behavior (at low electron densities) are found. In addition, the system shows an unconventional regime near half filling. It is characterized by the formation of spin and charge textures. Local magnetic moments and spin waves are also present, and the quasiparticle pole at the Fermi energy vanishes. The charge excitation spectrum is gapless. The overall features resemble those of the 1D Luttinger liquid.