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Journal of Physics Condensed Matter

Extended Hubbard model in two dimensions

M. S. Laad, D K Ghosh

Published Dec 2, 1991• 7 citations
Publisher

Abstract

The extended Hubbard model with nearest neighbour inter-site correlations has been studied by mapping it onto a spin-Hamiltonian. In the case of a half-filled band the problem is equivalent to that of an anisotropic Heisenberg model in the absence of a field. The phases in the U-Q plane obtained here are in good agreement with those obtained by Monte Carlo simulation. The antiferromagnetic XY-ordered phase of the model is shown to be very similar to an RVB phase. Extending the analogy away from half-filling, a possible dependence of the critical temperature T c with the doping concentration delta in a high-T c system is suggested.

DOI
10.1088/0953-8984/3/48/014

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The extended Hubbard model with nearest neighbour inter-site correlations has been studied by mapping it onto a spin-Hamiltonian. In the case of a half-filled band the problem is equivalent to that of an anisotropic Heisenberg model in the absence of a field. The phases in the U-Q plane obtained here are in good agreement with those obtained by Monte Carlo simulation. The antiferromagnetic XY-ordered phase of the model is shown to be very similar to an RVB phase. Extending the analogy away from half-filling, a possible dependence of the critical temperature T c with the doping concentration delta in a high-T c system is suggested.
We study the magnetic properties of the two-dimensional Hubbard model with nearest-neighbor (t) and next-nearest-neighbor (t2{t}_{2}t2​) hopping and on-site repulsion U. We first calculate the mean-field phase diagram as a function of band filling and U. Because of the Van Hove singularity in the density of states, we find a ferromagnetic phase extending to zero U for certain band filling. For the half-filled band case, antiferromagnetism sets in at a finite value of U if t2{t}_{2}t2​\ensuremath{\ne}0. We study the behavior of spin-spin correlation functions for small lattices of up to N=64 atoms using Monte Carlo simulations, as well as exact diagonalization for N=4. Our results show enhanced ferromagnetic correlations in some regions, but apparently no ferromagnetic long-range order. In the half-filled case, our numerical results are consistent with a nonzero critical U. For a non-half-filled band our results suggest that there is no long-range order.
The authors study a simple model for superconductivity based on an extended Hubbard model with on-site repulsive and inter-site attractive interaction for arbitrary electron density. The two-dimensional square lattice d-wave pairing is most stable for a nearly half-filled band. p-wave and then extended s-wave pairing become stable upon decreasing band filling. Competition between the various anisotropic pairings and antiferromagnetism as well as the effect of next-nearest-neighbour hopping is discussed. The authors relate the present model to high-T c superconducting oxides.
Magnetic properties of the two-dimensional Hubbard-model are inferred from results of Monte Carlo simulations. Lattice sizes up to 8\ifmmode\times\else\texttimes\fi{}8 and temperatures down to T=t20T=\frac{t}{20}T=20t​ (t=hoppingt=\mathrm{hopping}t=hopping) were studied. The half-filled system is found to exhibit antiferromagnetic long-range order for all values of the Coulomb repulsion UUU. The low-temperature magnetic properties are found to be well described by spin-wave theory with renormalized local moment and spin-wave velocity. Numerical evidence presented suggests that when doped the system loses the long-range order immediately away from half filling.
Abstract Using the strong coupling diagram technique, we investigate the extended Hubbard model on a two-dimensional square lattice. This approach allows for charge and spin fluctuations and a short-range antiferromagnetic order at nonzero temperatures. The model features the first-order phase transition to states with alternating site occupations (SAO) at the intersite repulsion v = v c . In this work, we show that doping decreases v c . For a nonzero next-nearest neighbor hopping t ′ , less mobile carriers produce a stronger fall in v c . For half-filling and t ′ = 0 , we consider phase diagrams for a fixed temperature T, on-site U, and intersite repulsions. The diagrams contain regions of SAO, Mott insulator, and several metallic states distinguished by their densities of states. Two of them are characterized by a dip and a peak at the Fermi level. The dip originates from the Slater mechanism for itinerant electrons, while the peak to bound states of electrons with localized magnetic moments. The existence of these two metallic regions in the phase diagram is a manifestation of the Pomeranchuk effect. The boundary between these regions reveals itself as a kink in the curve v c (T) and as a maximum in the T dependence of the double occupancy D. Our calculated D for different values of v, U, and T are in semiquantitative agreement with Monte Carlo results.
Magnetic and charge order in half-filled and doped finite two-dimensional (8 × 8) clusters described by the extended Hubbard Hamiltonian with medium to large on-site ( U ) and intersite ( V ) Coulomb repulsion were investigated using correlated wavefunctions. The treatment of spatially inhomogeneous correlations was possible thanks to a combination of the local ansatz and the local increments expansion methods. The surprising result is that in the half-filled case the correlations do not influence the transition from the antiferromagnetic (AF) to charge order (CO) phase found in the Hartree–Fock approximation. For the doped systems we found a variety of stripe or superlattice-like structures for small values of V , while for larger V we identified robust CO phases. For smaller doping (δ = 1/8 and 1/4) the charge-majority sublattice has typically inhomogeneous charge distribution and is decorated by various magnetic patterns, while for larger doping (δ = 1/2) the co-phase is homogeneous (ideal) and with superimposed AF order.
The extended Hubbard model describes fermions on a lattice coupled through on-site, UUU, and first-neighbor, VVV, interactions. In the context of high-Tc{T}_{c}Tc​ cuprates, antiferromagnetic fluctuations may lead to an attractive channel, hence to superconductivity. Despite interest in the two-dimensional version of the model, the current knowledge about the phase diagram is still far from complete. Here, we report on the results of extensive determinant quantum Monte Carlo simulations for this model at half filling, in which we have used the average sign of the product of fermionic determinants as an additional observable to locate critical points. We arrive at a ground state phase diagram in the $U\text{\ensuremath{-}}V$ plane in which the boundaries involving antiferromagnetic, charge-ordered, sss- and ddd-wave superconductivity, and phase-separated phases are quantitatively set with good accuracy. We have also proposed a partial phase diagram, Tc(U,V){T}_{c}(U,V)Tc​(U,V), featuring critical temperatures for the charge-density wave and sss-wave superconducting phases.