Magnetic order in the repulsive Fermi-Hubbard model in three-dimensions and the crossover to two-dimensions

TL;DR

This study investigates the magnetic order and phase transitions in the 3D repulsive Fermi-Hubbard model, revealing antiferromagnetic and spin-density wave states, and explores the crossover to 2D by tuning inter-plane coupling.

Contribution

It provides an exact solution for the ground state of the doped 3D Hubbard model within the generalized Hartree-Fock approximation, including detailed analysis of SDW states and the 3D to 2D crossover.

Findings

Identification of antiferromagnetic and incommensurate SDW states.

Observation of a metal-insulator transition with increasing interaction.

Quantitative agreement between numerical results and the pairing model ansatz.

Abstract

Systems of fermions described by the three-dimensional (3D) repulsive Hubbard model on a cubic lattice have recently attracted considerable attention due to their possible experimental realization via cold atoms in an optical lattice. Because analytical and numerical results are limited away from half-filling, we study the ground state of the doped system from weak to intermediate interaction strengths within the generalized Hartree-Fock approximation. The exact solution to the self-consistent-field equations in the thermodynamic limit is obtained and the ground state is shown to exhibit antiferromagnetic order and incommensurate spin-density waves (SDW). At low interaction strengths, the SDW has unidirectional character with a leading wave-vector along the $<100>$-direction, and the system is metallic. As the interaction increases, the system undergoes a simultaneous structural and metal-to-insulator transition to a unidirectional SDW state along the $<111>$-direction, with a different wavelength. We systematically determine the real- and momentum-space properties of these states. The crossover from 3D to two-dimensions (2D) is then studied by varying the inter-plane hopping amplitude, which can be experimentally realized by tuning the distance between a stack of square-lattice layers. Detailed comparisons are made between the exact numerical results and predictions from the pairing model, a variational {\em ansatz} based on the pairing of spins in the vicinity of the Fermi surface. Most of the numerical results can be understood quantitatively from the ansatz, which provides a simple picture for the nature of the SDW states.