We develop series expansions for the ground state properties of the Hubbard model by introducing an Ising anisotropy into the Hamiltonian. For the two-dimensional square lattice half-filled Hubbard model, the ground state energy, local moment, sublattice magnetization, uniform magnetic susceptibility, and spin stiffness are calculated as a function of U/t, where U is the Coulomb constant and t is the hopping parameter. Magnetic susceptibility data indicate a crossover around U\ensuremath{\approxeq}4 between spin density wave antiferromagnetism and Heisenberg antiferromagnetism. Comparisons with Monte Carlo simulations, random phase approximation result, and mean-field solutions are also made.
The T = 0 spin stiffness ρ s and the transverse susceptibility χ ⊥ of the square lattice half-filled Hubbard model are calculated as a function of the Hubbard parameter ratio U / t by series expansions around the Ising limit. We find that the calculated spin stiffness, transverse susceptibility, and sublattice magnetization for the Hubbard model smoothly approach the Heisenberg values for large U / t . The results are compared for different U / t with RPA and other numerical studies. The uniform susceptibility data indicate a crossover around U / t ≈ 4 between weak-coupling (spin density wave) behavior at small U and strong-coupling (Heisenberg) behavior at large U .
Magnetic properties of the half-filled Hubbard model on three-dimensional bipartite lattices have been studied by using the linked-cluster series expansion method. The series for the free energy and the staggered susceptibility have been calculated as a function of \ensuremath{\mathrm{B}}t for three-dimensional bipartite lattices for an arbitrary value of the Coulomb interaction U. We obtain a transition from a paramagnetic to an antiferromagnetic U/t-
TN /t phase diagram from the divergence of the staggered susceptibility series. Comparisons with Monte Carlo simulation, Onsager reaction field result of an effective spin Hamiltonian, and large-U Heisenberg high-temperature solutions are made.
The Hubbard model has been widely used to describe magnetism due to itinerant electrons. However, except for the one-dimensional case, no exact solution of the model exists. We have studied the two-dimensional Hubbard model on a square lattice using a Monte Carlo simulation technique. Simulations were performed on lattices of up to 8×8 in spatial size. We will discuss results for thermodynamic properties and correlation functions as a function of temperature and interaction strength. For the half-filled band case, our results indicate that the system exhibits long-range antiferromagnetic order in the ground state for any nonzero interaction, although substantially reduced from the classical Néel state due to both charge and spin fluctuations. For the non-half-filled band case, our results suggest that no long-range magnetic order exists. We also don’t find any indication of short-ranged ferromagnetic correlations in the parameter range studied. We have also studied the predictions of various approximate treatments for this model, particularly the static approximation and the coherent potential approximation (CPA). By comparison with the Monte Carlo results, we discuss the validity of these schemes. Finally, we discuss the effect of changing the band structure on the magnetic properties of the system.
The half-filled Hubbard model on the Bethe lattice with coordination number
z=3 is studied using the density-matrix renormalization group (DMRG) method. Ground-state properties such as the energy
E, average local magnetization $ $, its fluctuations $ - ^2$ and various spin correlation functions $ - $ are determined as a function of the Coulomb interaction strength
U/t. The calculated local magnetic moments $ $ increase monotonically with increasing Coulomb repulsion
U/t forming an antiferromagnetic spin-density-wave state which matches the two sublattices of the bipartite Bethe lattice. At large
U/t, $ $ is strongly reduced with respect to the saturation value 1/2 due to exchange fluctuations between nearest neighbors (NN) spins (
∣∣≃0.35 for
U/t→+∞). $ - ^2$ shows a maximum for
U/t=2.4--2.9 which results from the interplay between the usual increase of $ $ with increasing
U/t and the formation of important permanent moments $ $ at large
U/t. NN sites show antiferromagnetic spin correlations which increase with increasing Coulomb repulsion. In contrast next NN sites are very weakly correlated over the whole range of
U/t. The accuracy of the DMRG results is discussed by comparison with tight-binding exact results, independent DMRG calculations for the Heisenberg model and simple first-order perturbation estimates.
The magnetic susceptibility of the two-dimensional repulsive Hubbard model with nearest-neighbor hopping is investigated using the diagram technique developed for the case of strong correlations. In this technique, a power series in the hopping constant is used. At half-filling, the calculated zero-frequency susceptibility and the square of the site spin reproduce adequately the results of Monte Carlo simulations. Also, in agreement with numerical simulations, no evidence of ferromagnetic correlations was found in the considered range of electron concentrations $0.8\ensuremath{\lesssim}\overline{n}\ensuremath{\lesssim}1.2$ for the repulsion parameters $8\ensuremath{\mid}t\ensuremath{\mid}\ensuremath{\leqslant}U\ensuremath{\leqslant}16\ensuremath{\mid}t\ensuremath{\mid}$. However, for larger $U∕\ensuremath{\mid}t\ensuremath{\mid}$ and $\ensuremath{\mid}1\ensuremath{-}\overline{n}\ensuremath{\mid}\ensuremath{\approx}0.2$, the nearest-neighbor correlations become ferromagnetic. For $\overline{n}\ensuremath{\lesssim}0.94$ and $\overline{n}\ensuremath{\gtrsim}1.06$, the imaginary part of the real-frequency susceptibility becomes incommensurate for small frequencies. The incommensurability parameter grows with departure from half-filling and decreases with increasing frequency. This behavior of the susceptibility can explain the observed low-frequency incommensurate response observed in normal-state lanthanum cuprates.
The ground-state energy E and momentum distribution n k of the electrons are expanded from the atomic limit for the half-filled Hubbard model. The coefficients of expansion are represented by the spin correlation functions of the spin 1 / 2 Heisenberg model. Using the spin-wave theory, approximate values of coefficients are calculated for the square lattice and the simple cubic lattice. In one dimension, the theory shows a good agreement with the exact solution. An effective spin Hamiltonian for the half-filled Hubbard model with arbitrary hopping integrals is obtained up to the fifth order. It is shown that the fourth term contains four spin interactions.