Evaluating Second-Order Phase Transitions with Diagrammatic Monte Carlo: Néel Transition in the Doped Three-Dimensional Hubbard Model.
Connor Lenihan, Aaram J. Kim, Fedor Šimkovic, Evgeny Kozik
Abstract
Diagrammatic Monte Carlo-the technique for the numerically exact summation of all Feynman diagrams to high orders-offers a unique unbiased probe of continuous phase transitions. Being formulated directly in the thermodynamic limit, the diagrammatic series is bound to diverge and is not resummable at the transition due to the nonanalyticity of physical observables. This enables the detection of the transition with controlled error bars from an analysis of the series coefficients alone, avoiding the challenge of evaluating physical observables near the transition. We demonstrate this technique by the example of the Néel transition in the 3D Hubbard model. At half filling and higher temperatures, the method matches the accuracy of state-of-the-art finite-size techniques, but surpasses it at low temperatures and allows us to map the phase diagram in the doped regime, where finite-size techniques struggle from the fermion sign problem. At low temperatures and sufficient doping, the transition to an incommensurate spin density wave state is observed.