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Hubbard Model with Lüscher fermions 1

Published Jan 1, 1997• 0 citations
OpenAlex

Abstract

We study the basic features of the two-dimensional quantum Hubbard Model at half-filling by means of the Lüscher algorithm and the algorithm based on direct update of the determinant of the fermionic matrix. We implement the Lüscher idea employing the transfer matrix formalism which allows to formulate the problem on the lattice in (2+1) dimensions. We discuss the numerical complexity of the Lüscher technique, systematic errors introduced by polynomial approximation and introduce some improvements which reduce long autocorrelations. In particular we show that preconditioning of the fermionic matrix speeds up the algorithm and extends the available range of parameters. We investigate the magnetic and the one-particle properties of the Hubbard Model at half-filling and show that they are in qualitative

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We study the basic features of the two-dimensional quantum Hubbard Model at half-filling by means of the Lüscher algorithm and the algorithm based on direct update of the determinant of the fermionic matrix. We implement the Lüscher idea employing the transfer matrix formalism which allows to formulate the problem on the lattice in (2+1) dimensions. We discuss the numerical complexity of the Lüscher technique, systematic errors introduced by polynomial approximation and introduce some improvements which reduce long autocorrelations. In particular we show that preconditioning of the fermionic matrix speeds up the algorithm and extends the available range of parameters. We investigate the magnetic and the one-particle properties of the Hubbard Model at half-filling and show that they are in qualitative
We have studied the two-dimensional Hubbard model on a square lattice with nearest-neighbor hopping. We first discuss the properties of the model within the mean-field approximation: Because of the form of the band structure, some peculiar features are found. We then discuss the simulation algorithm used and compare simulation results with exact results for 6-site chains to test the reliability of the approach. We present results for thermodynamic properties and correlation functions for lattices up to 8\ifmmode\times\else\texttimes\fi{}8 in spatial size. The system is found to be an antiferromagnetic insulator for all values of the coupling constant at zero temperature in the half-filled-band case, but the long-range order is much smaller than predicted by mean-field theory. We perform a finite-size-scaling analysis to determine the character of the transition at zero coupling. For non-half-filled-band cases, our results suggest that the system is always paramagnetic, in contradiction with Hartree-Fock predictions. The system does not show tendency to ferromagnetism nor triplet superconductivity in the parameter range studied. We also discuss some properties of the attractive Hubbard model in the half-filled-band case.
This thesis discusses mainly two Fermionic lattice systems, first a Kondo lattice with additional Hubbard interaction and second a Hubbard Hamiltonian augmented with additional spin and charge interactions. We first introduce the Quantum Monte Carlo technique, which is then employed to study the two respective systems. We present an innovation that allows to calculate time displaced Greens functions more efficiently. Compared with previously used numerically stable algorithms the new method gains an order of magnitude in speed, but is just as precise, and very simple to implement. In the second chapter we consider the Kondo lattice model in two dimensions at half filling. In addition to the Fermionic hopping integral t and the superexchange coupling J the role of a Coulomb repulsion U in the conduction band is investigated. We find the model to display a magnetic order-disorder transition in the U-J plane with a critical value of Jc which is decreasing as a function of U. The single-particle spectral function A(k,ω) is computed across this transition. We conclude that (i) the local screening of impurity spins determines the low-energy behavior of the spectral function and (ii) one cannot deform continuously the spectral function of the half-filled Hubbard model at J=0 to that of the Kondo insulator at J>Jc. In the third chapter we investigate the phase diagram of a new model that exhibits a first order transition between s-wave superconducting and antiferromagnetic phases. The model, a generalized Hubbard model augmented with competing spin-spin and pair-pair interactions, was investigated using the projector quantum Monte Carlo method. Upon varying the Hubbard U from attractive to repulsive, we find a first order phase transition between superconducting and antiferromagnetic states.
A detailed quantitative study of the physical properties of the infinite-dimensional Hubbard model at half filling is presented. The method makes use of an exact mapping onto a single-impurity model supplemented by a self-consistency condition. This coupled problem is solved numerically. Results for thermodynamic quantities (specific heat, entropy, . . .), one-particle spectral properties, and magnetic properties (response to a uniform magnetic field) are presented and discussed. The nature of the Mott-Hubbard metal-insulator transition found in this model is investigated. A numerical solution of the mean-field equations inside the antiferromagnetic phase is also reported.
The asymptotics of the equal-time one-particle Green's function of the half-filled one-dimensional Hubbard model is studied at finite temperature. We calculate its correlation length by evaluating the largest and the second largest eigenvalues of the Quantum Transfer Matrix (QTM). In order to allow for the genuinely fermionic nature of the one-particle Green's function, we employ the fermionic formulation of the QTM based on the fermionic R -operator of the Hubbard model. The purely imaginary value of the second largest eigenvalue reflects the k F ( = π/2) oscillations of the one-particle Green's function at half-filling. By solving numerically the Bethe ansatz equations with Trotter numbers up to N = 10240, we obtain accurate data for the correlation length at finite temperatures down into the very low-temperature region. The correlation length remains finite even at T = 0 due to the existence of the charge gap. Our numerical data confirm Stafford and Millis' conjecture regarding an analytic expression for the correlation length at T = 0.
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.
We report on a numerical study of the two-dimensional Hubbard model and describe two new algorithms for the simulation of many-electron systems. These algorithms allow one to carry out simulations within the grand canonical ensemble at significantly lower temperatures than had previously been obtained and to calculate ground-state properties with fixed numbers of electrons. We present results for the two-dimensional Hubbard model with half- and quarter-filled bands. Our results support the existence of long-range antiferromagnetic order in the ground state at half-filling and its absence at quarter-filling. Results for the magnetic susceptibility and the momentum occupation along with an upper bound to the spin-wave spectrum are given. We find evidence for an attractive effective d-wave pairing interaction near half-filling but have not found evidence for a phase transition to a superconducting state.