Simulation Monte-Carlo du Mod\`ele de Hubbard \`a deux dimensions

TL;DR

This paper presents Quantum Monte-Carlo simulations of the 2D Hubbard model at half filling, revealing a phase diagram with a metal-insulator transition and magnetic order changes based on interaction strength U.

Contribution

It applies a direct-space Quantum Monte-Carlo method to the 2D Hubbard model, providing detailed phase diagrams and transition characteristics.

Findings

Identifies a first-order metal-insulator transition at low temperature for small U.

Shows a change from antiferromagnetic to ferromagnetic behavior with increasing U.

Reveals a phase diagram with two first-order transition lines.

Abstract

The Quantum Monte-Carlo simulations of the two-dimensional Hubbard model are presented for the half filling. The method based on the direct-space proposed by Suzuki and al., and Hirsch and al. was used. The states generated by this method are basis states in occupation number representation built with Wannier states localised on each site of the square array. The configurations of fermions can be observed on the real 2D array. An antiferromagnetic factor is defined and calculated for each temperature. The curves of energy, specific heat, conducivity and antiferromagnetic factor are presented for different values of the repulsive coulombian on site interaction U. There is a metal-insulator transition at low temperature for small values of U. This transition corresponds with a paramagnetic-ferromagnetic first order transition. Indeed, for these interaction values, the energy curves show a gap which is a characteristic of a first order transition. An hysteresis phenomenon appears on the conductivity curves. There is a behaviour change for U/t=3.5. For the values U>3.5 there is ferromagnetic-paramagnetic change without observable effect on the energy and the specific heat. The metal-insulator transition does not exist any more, the conductivity stays very small. Isotherms of the physical quantities versus U/t show a transition which seems to be the metal-insulator Mott transition. These results allow to draw a phase diagram with two first order transition lines.