We present calculations of the tt'-Hubbard model using Quantum Monte Carlo techniques. The parameters are chosen so that the van Hove Singularity in the density of states and the Fermi level coincide. We study the behaviour of the system with increasing Hubbard interaction U. Special emphasis is on the spin-spin correlation (SSC). Unusual behaviour for large U is observed there and in the momentum distribution function (n(q)).
We present calculations of the tt'-Hubbard model using Quantum Monte Carlo techniques. The parameters are chosen so that the van Hove Singularity in the density of states and the Fermi level coincide. We study the behaviour of the system with increasing Hubbard interaction U. Special emphasis is on the spin-spin correlation (SSC). Unusual behaviour for large U is observed there and in the momentum distribution function (n(q)).
The momentum distribution function and spin-correlation functions are studied for the one-dimensional large-U Hubbard model with an emphasis on the effects of the magnetic field. A direct calculation of the correlation functions is carried out with the exact wave function, whose explicit form for the large-U limit was derived in a previous paper. Singularities are detected at ${\mathit{k}}_{\mathit{F}\mathrm{\ensuremath{\sigma}}}$ and ${\mathit{k}}_{\mathit{F}\mathrm{\ensuremath{\sigma}}}$+2${\mathit{k}}_{\mathit{F}\mathrm{\ensuremath{-}}\mathrm{\ensuremath{\sigma}}}$ in the momentum distribution function ${\mathit{n}}_{\mathrm{\ensuremath{\sigma}}}$(k), where ${\mathit{k}}_{\mathit{F}\mathrm{\ensuremath{\sigma}}}$ is the Fermi wave number of the noninteracting electrons with a given magnetization. Similarly, the longitudinal spin-correlation function Szz(k) has singularities at 2${\mathit{k}}_{\mathit{F}\mathrm{\ensuremath{\uparrow}}}$ and 2${\mathit{k}}_{\mathit{F}\mathrm{\ensuremath{\downarrow}}}$, while the transverse one Sxx(k) is singular at ${\mathit{k}}_{\mathit{F}\mathrm{\ensuremath{\uparrow}}}$+${\mathit{k}}_{\mathit{F}\mathrm{\ensuremath{\downarrow}}}$ and ${\mathit{k}}_{\mathit{F}\mathrm{\ensuremath{\uparrow}}}$-${\mathit{k}}_{\mathit{F}\mathrm{\ensuremath{\downarrow}}}$. The nature of the singularities (i.e., critical exponents) is determined from an analysis of the size dependence. As a complementary approach, those critical exponents for the U/t\ensuremath{\rightarrow}\ensuremath{\infty} limit are explicitly calculated with conformal field theory. In this limit the exponents depend only on the magnetization and are independent of the electron density. The resulting exponents are consistent with the first results.
We have studied correlation functions of the one-dimensional Hubbard model using the density-matrix numerical renormalization-group approach. The singularity exponents of the momentum distribution at k=kF and 3kF, as well as the power-law singularity of the spin-correlation function, are computed for large U (U/t=103). The momentum-distribution exponent at k=kF and the spin-correlation exponent are in agreement with the analytic results, while the calculated exponent for momentum distribution at k=3kF is about 3/4, which disagrees with the analytically predicted value 9/8. We also discuss several techniques for an accurate calculation of the correlation functions.
The momentum distribution function n(k) and spin-correlation function S(k) are determined for the one-dimensional large-U Hubbard model with various electron densities. The present work is featured with an application of the Bethe-ansatz wave function, which has a simple form in the large-U limit for any electron density. Namely, its charge degrees of freedom are expressed as a Slater determinant of spinless fermions, while its spin degrees of freedom are equivalent to the one-dimensional S=(1/2 Heisenberg model. The singularity of n(k) at k=kF is analyzed from the system size dependence. In addition to the kF singularity, n(k) has a weak singularity at k=3kF; however, no detectable singularity is present at 2kF, which one might expect from the spinless fermion wave function. The singularity of S(k) at 2kF is also examined in detail. It is concluded from the size dependence that, when the system is away from half-filling, the nature of the singularity at 2kF is different from that in the Heisenberg model. The results are compared with the behavior in the weak-correlation regime examined with the perturbation calculation, the prediction of g-ology, and recent Monte Carlo calculations.
Numerical results obtained from Monte Carlo simulation in the ground state and at finite temperatures as well as the exact diagonalization and the transfer matrix method are reported. Efficiency of the Monte Carlo method in the ground state is examined. Spin, charge and superconducting correlations are investigated for the Hubbard and the t - J model in one and two dimensions. The momentum distribution in the one-dimensional Hubbard model shows fermi-liquid-like behavior at least in two orders of magnitude smaller energy scale than the band width. The short-range incommensurate spin correlation is observed and analyzed in the doped Hubbard and the t - J model both in one and two dimensions. In the ground state, the superconducting correlation shows the absence of system size dependence in two dimensions at the filling smaller than 0.8 and in one dimension at any filling. The binding energy of two fermions and the spin and charge distortion around an itinerant fermion are also discussed in the t - J and the coupled spin-fermion model.
Quantum Monte Carlo is used to calculate various pairing correlations of the 2D Hubbard model possessing band features experimentally observed in the cuprates. In the hole-doped case, where the Fermi level lies close to the van Hove singularities around (0,π), the dx2−y2 pairing correlation is selectively enhanced, while in the electron-doped case, where the singularities are far below the Fermi level and the Fermi surface runs through (±π/2,±π/2), both dx2−y2 and dxy correlations are enhanced with the latter having a 2×2 structure. The two pairing symmetries can mix to result in a nodeless gap.