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We demonstrate how first-principles calculations of many competing low-energystates of a correlated material, here a cuprate, can be used to develop athermodynamic model of Mott and pseudogap transitions in terms of magneticshort-range order. Mott physics is found in this picture to be driven by anunbinding of the antiphase domain walls, while the pseudogap phenomenonrepresents local moment formation. We provide explanations for nematicity andFermi arc formation, and find a striking correspondence with many-bodyperturbation theory predictions.

A first-principles-based study of the thermodynamics of competing low-energy states in correlated materials: Example of cuprates