Néel temperature and thermodynamics of the half-filled 3D Hubbard model by Diagrammatic Determinant Monte Carlo

Abstract

We study thermodynamics of the 3D Hubbard model at half filling on approach to the Néel 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 temperature dependence of energy, entropy, double occupancy, and the 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.

17 pages, 12 figures, 5 tables

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