Spectral properties of the three-dimensional Hubbard model

TL;DR

This paper investigates the spectral properties of the three-dimensional Hubbard model using advanced quantum Monte Carlo methods, focusing on magnetic phases, temperature effects, and the impact of frustration on metal-insulator transitions.

Contribution

It provides momentum-resolved spectral functions for the 3D Hubbard model in different magnetic states using continuous-time QMC and maximum entropy analytical continuation, addressing frustration effects.

Findings

Spectral functions vary with temperature and interaction strength.

Magnetic frustration influences the metal-insulator transition.

Methodology enables precise momentum-resolved spectral analysis.

Abstract

We present momentum resolved single-particle spectra for the three-dimensional Hubbard model for the paramagnetic and antiferromagnetically ordered phase obtained within the dynamical cluster approximation. The effective cluster problem is solved by continuous-time Quantum Monte Carlo simulations. The absence of a time discretization error and the ability to perform Monte Carlo measurements directly in Matsubara frequencies enable us to analytically continue the self-energies by maximum entropy, which is essential to obtain momentum resolved spectral functions for the N'eel state. We investigate the dependence on temperature and interaction strength and the effect of magnetic frustration introduced by a next-nearest neighbor hopping. One particular question we address here is the influence of the frustrating interaction on the metal insulator transition of the three-dimensional Hubbard model.