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Modern Physics Letters B

Novel 1/N Expansion for Self-Energy and Correlation Functions of the Hubbard Model

Miodrag L. Kulić, R. Zeyher

Published Apr 10, 1997• 6 citations
Publisher

Abstract

The novel slave-free (i.e. without slave bosons and fermions) approach to the problem of strong correlations is used in studying the Hubbard (t-J) model, where the self-energy is expressed in terms of charge and spin vertex functions of Hubbard operators. A systematic 1/N expansion (N is the number of spin components) of the self-energy is carried out. In O(1) it gives the same quasiparticle spectrum as the slave boson theory. The next order O(1/N) of the self-energy Σ(k, ω) is calculated exactly by solving analytically the integral equations for the charge and spin vertices. As an example for the feasibility of the proposed method explicit results for Σ(k, ω) are given in the case J=0. Dealing only with observable quantities our method is transparent and easily applicable to models which exclude double occupancy on lattice sites, such as the Anderson model and the Emery model for high temperature superconductors.

DOI
10.1142/s0217984997000414

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Physical review. B, Condensed matter•Feb 15, 1999•1 citation
The novel slave-free (i.e. without slave bosons and fermions) approach to the problem of strong correlations is used in studying the Hubbard (t-J) model, where the self-energy is expressed in terms of charge and spin vertex functions of Hubbard operators. A systematic 1/N expansion (N is the number of spin components) of the self-energy is carried out. In O(1) it gives the same quasiparticle spectrum as the slave boson theory. The next order O(1/N) of the self-energy Σ(k, ω) is calculated exactly by solving analytically the integral equations for the charge and spin vertices. As an example for the feasibility of the proposed method explicit results for Σ(k, ω) are given in the case J=0. Dealing only with observable quantities our method is transparent and easily applicable to models which exclude double occupancy on lattice sites, such as the Anderson model and the Emery model for high temperature superconductors.
We reconsider the strong-coupling expansion for the Hubbard model recently introduced by Sarker and Pairault et al. By introducing slave particles that act as projection operators onto the empty, singly occupied and doubly occupied atomic states, the perturbation theory around the atomic limit distinguishes between processes that do conserve or do not conserve the total number of doubly occupied sites. This allows for a systematic t/U expansion that does not break down at low temperature (t being the intersite hopping amplitude and U the local Coulomb repulsion). The fermionic field becomes a two-component field, which reflects the presence of the two Hubbard bands. The single-particle propagator is naturally expressed as a function of a 2×2 matrix self-energy. Furthermore, by introducing a time- and space-fluctuating spin-quantization axis in the functional integral, we can expand around a "non-degenerate" ground-state where each singly occupied site has a well defined spin direction (which may fluctuate in time). This formalism is used to derive the effective action of charge carriers in the lower Hubbard band to first order in t/U. We recover the action of the t–J model in the spin-hole coherent-state path integral. We also compare our results with those previously obtained by studying fluctuations around the large-U Hartree–Fock saddle point.
We apply the recently proposed supersymmetric Hubbard operators [P. Coleman, C. P\'epin, and J. Hopkinson, Phys. Rev. B 63, 140411(R) (2001)] to an atomic model. In the limiting case of free spins, we derive exact results for the entropy which are compared with a mean-field + Gaussian corrections description. We show how these results can be extended to the case of charge fluctuations and calculate exact results for the partition function, free energy, and heat capacity of an atomic model for some simple examples. Wave-functions of possible states are listed. We compare the accuracy of large N expansions of the susy spin operators [P. Coleman, C. P\'epin, and A. M. Tsvelik, Phys. Rev. B 62, 3852 (2000); Nucl. Phys. B 586, 641 (2000)] with those obtained using ``Schwinger bosons'' and ``Abrikosov pseudofermions.'' For the atomic model, we compare results of slave boson, slave fermion, and susy Hubbard operator approximations in the physically interesting but uncontrolled limiting case of $\stackrel{\ensuremath{\rightarrow}}{N}2.$ For a mixed representation of spins, we estimate the accuracy of large N expansions of the atomic model. In the single box limit, we find that the lowest-energy susy saddle point reduces to simply either slave bosons or slave fermions, while for higher boxes this is not the case. The highest energy saddle point solution has the interesting feature that it admits a small region of a mixed representation, which bears a superficial resemblance to that observed experimentally close to an antiferromagnetic quantum critical point.
The cluster slave-spin method is introduced to systematically investigate the solutions of the Hubbard model including the symmetry-broken phases. In this method, the electron operator is factorized into a fermionic spinon describing the physical spin and a slave-spin describing the charge fluctuations. Following the U(1)U(1)U(1) formalism derived by Yu and Si [Phys. Rev. B 86, 085104 (2012)], it is shown that the self-consistent equations to explore various symmetry-broken density wave states can be constructed in general with a cluster of multiple slave-spin sites. We employ this method to study the antiferromagnetic (AFM) state in the single band Hubbard model with the two- and four-site clusters of slave spins. While the Hubbard gap, the charge gap due to the doubly occupied states, scales with the Hubbard interaction UUU as expected, the AFM gap $\mathrm{\ensuremath{\Delta}}$, the gap in the spinon dispersion in the AFM state, exhibits a crossover from the weak- to strong-coupling behaviors as UUU increases. Our cluster slave-spin method reproduces not only the traditional mean-field behavior of $\mathrm{\ensuremath{\Delta}}\ensuremath{\sim}U$ in the weak-coupling limit, but also the behavior of $\mathrm{\ensuremath{\Delta}}\ensuremath{\sim}{t}^{2}/U$ predicted by the superexchange mechanism in the strong-coupling limit. In addition, the holon-doublon correlator as functions of UUU and doping xxx is also computed, which exhibits a strong tendency toward the holon-doublon binding in the strong coupling regime. We further show that the quasiparticle weight obtained by the cluster slave-spin method is in a good agreement with the generalized Gutzwiller approximation in both AFM and paramagnetic states, and the results can be improved beyond the generalized Gutzwiller approximation as the cluster is enlarged from a single site to four sites. Our results demonstrate that the cluster slave-spin method can be a powerful tool to systematically investigate the strongly correlated system.
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.
The Hubbard I decoupling approximation [J. Hubbard, Proc. R. Soc. London Ser. A 276, 238 (1963)] is extended by introducing a k-dependent self-energy which describes a mobile correlation hole of opposite spin propagating along with the electron in its way around the lattice. The theory, despite its simplicity, (1) becomes exact in the strong-coupling limit; and (2) reproduces with great accuracy the ground-state energy, the double occupancy, the on-site correlation functions, and the effective hopping for all the values of the Hubbard Coulomb repulsion U. It also gives reasonable spectral functions leading to (3) a single-particle Green function showing the well-known spectral-weight transfer between the Hubbard bands as soon as the electron density deviates from half-filling, and (4) a momentum distribution as well as magnetic and charge structure factors in qualitative agreement with quantum Monte Carlo simulations, slave-boson calculations, and conserving approximations like fluctuation exchange and parquet. On the other hand, as in most decoupling schemes, liftime effects and the near-Fermi-level additional structure characteristic of strongly correlated electron systems are missing.