Néel temperature and thermodynamics of the half-filled three-dimensional Hubbard model by diagrammatic determinant Monte Carlo

Abstract

We study the thermodynamics of the three-dimensional Hubbard model at half filling on approach to the N\'eel transition by means of large-scale unbiased diagrammatic determinant Monte Carlo simulations. We obtain the transition temperature in the strongly correlated regime, as well as the temperature dependence of the energy, entropy, double occupancy, and nearest-neighbor spin correlation function. Our results improve the accuracy of previous unbiased studies and present accurate benchmarks in the ongoing effort to realize the antiferromagnetic state of matter with ultracold atoms in optical lattices.

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• Physical Review B - View