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Physica Scripta

Correlation induced magnetic symmetry breaking

M. Bartkowiak, K. A. Chao

Published Jan 1, 1992• 0 citations
Publisher

Abstract

Using the diagrammatic technique for Hubbard operators we construct a linked-cluster perturbation expansion around the atomic limit of the Hubbard model. We first perform a computer-aided fourth-order calculation. The results clarify discrepances in earlier expansions around the large- U limit. Next, we construct a partial vertex renormalization in the second order of the linked-cluster expansion. The vertex renormalization leads to a selfconsistent magnetic symmetry breaking and allows to study explicitly magnetic oderings of the system in the whole range of temperatures and for arbitrary electron density. The presented results for the case of a half-filled energy band indicate that our approach for the Hubbard model is analogous to the mean-field theory for spin systems, and can serve as a starting point for developing advanced selfconsistent schemes which become exact in the large- U limit. We present results of a systematic numerical study of the non-half-filled-band case. In particular, the vertex-renormalized second-order calculation leads to a qualitatively correct sharp decrease of the Néel temperature as a function of concentration of holes.

DOI
10.1088/0031-8949/1992/t42/013

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Using the diagrammatic technique for Hubbard operators we construct a linked-cluster perturbation expansion around the atomic limit of the Hubbard model. We first perform a computer-aided fourth-order calculation. The results clarify discrepances in earlier expansions around the large- U limit. Next, we construct a partial vertex renormalization in the second order of the linked-cluster expansion. The vertex renormalization leads to a selfconsistent magnetic symmetry breaking and allows to study explicitly magnetic oderings of the system in the whole range of temperatures and for arbitrary electron density. The presented results for the case of a half-filled energy band indicate that our approach for the Hubbard model is analogous to the mean-field theory for spin systems, and can serve as a starting point for developing advanced selfconsistent schemes which become exact in the large- U limit. We present results of a systematic numerical study of the non-half-filled-band case. In particular, the vertex-renormalized second-order calculation leads to a qualitatively correct sharp decrease of the Néel temperature as a function of concentration of holes.
We show that mean-field-type symmetry-breaking approximations for correlated fermions can be constructed by performing vertex renormalization (VR) in the linked-cluster expansion, just as for the case of lattice spin models. In the limit of infinite spatial dimensions we sum up exactly the renormalized diagrams for the grand-canonical potential of the Hubbard model and, using the diagrammatic technique for Hubbard operators, we construct explicitly an approximate VR. The procedure leads to a self-consistent symmetry breaking analogous to that of the mean-field theory for spin systems. We present solutions for the case of half-filled energy band. They are valid for arbitrary temperatures and become exact for both large-U limit and for U=0. The antiferromagnetic order parameter is found to have the conventional mean-field form and, in the regime of strong correlations, the obtained critical temperature coincides with the mean-field-theory result for the N\'eel temperature of the effective Heisenberg Hamiltonian.
We have shown that mean-field-type symmetry-breaking approximations for correlated fermions can be constructed by performing vertex renormalization (VR) in the linked-cluster expansion (LCE), just as for the case of lattice spin models. Using the diagrammatic technique for Hubbard operators, we have constructed explicitly a partial VR in the second order of the LCE for the half-filled Hubbard model around the atomic limit. We obtain a crossover from large-U Heisenberg mean-field behavior to zero Ne\ifmmode\acute\else\textasciiacute\fi{}el temperature at U=0.
We develop a perturbation expansion in the intersite hopping around the atomic limit of the Hubbard model. It is valid for arbitrary finite temperatures and interaction strengths. Diagrammatic rules that determine the grand-canonical potential and the Green's functions are derived. They reduce the calculation of any finite-order contribution to simple algebra. This opens the way for series extrapolations from computer-aided high-finite-order evaluations. Discrepancies in earlier expansions around the atomic limit are clarified. The present expansion scheme involves only connected diagrams with unrestricted lattice sums. This allows one to perform a vertex renormalization as for the linked-cluster expansion of the Ising model. The renormalized perturbation expansion can be used to construct self-consistent approximations which are automatically exact in the atomic limit. In the limit of high lattice dimensions, only fully two-particle reducible embeddings of diagrams on the lattice contribute. The single-particle properties of the infinite-dimensional Hubbard model reduce to those of independent tight-binding fermions hopping between dressed sites.
The Green’s-function diagrammatic high-density expansion technique for Hubbard’s operators is constructed and applied to the extended Hubbard model. The electron Green’s functions and the band structure of the ground state for arbitrary electron density are calculated in the zeroth-order in 1/z. The phase diagram, staggered magnetic susceptibility and the Néel temperature for the half-filled band case are derived in the first order of the high-density expansion. Connections of the high-density and linked cluster expansions are also discussed.
We analyse the behaviour of correlated electrons described by Hubbard-like models at intermediate coupling. We argue that with increasing interaction a pole in a generic two-particle Green function is approached. The pole signals condensation of electron-hole pairs and a metal-insulator transition at half-filling. The two-particle singularity calls for a sophisticated renormalization of the interaction strength. A self-consistent diagrammatic technique with renormalized two-particle Green functions is developed. The theory is based on a linked-cluster expansion for the thermodynamic potential with electron-electron interaction as the propagator. The simplest theory with full vertex renormalization, summing self-consistently multiple scatterings from two electron-hole channels, is proposed. We obtain an approximation with a generating functional in closed form enabling us to handle appropriately singularities in two-particle Green functions. The approximation is shown to be asymptotically exact in an external magnetic field close to the fully polarized ferromagnetic state at half-filling and zero temperature.
Correlation effects in the one-dimensional Hubbard model are studied by application of the L-resolvent method. The calculations are well beyond one-particle mean field approximation. All correlations involving two neighboring sites are included exactly and higher order correlations are approximated. The effects of varying temperature, band filling, Coulomb repulsion and external magnetic field are investigated. Two-site correlations for non-half-filled band fillings are calculated for the first time. Some exact relations between correlation functions are derived by electron-hole symmetry. Results indicate that short-range spin correlations always favor antiferromagnetic order. Large Coulomb repulsion induces a gap in the excitation spectrum and a metal-insulator transition is predicted as the Coulomb repulsion parameter is changed.