Mott transition and pseudogap of the square-lattice Hubbard model: Results from center-focused cellular dynamical mean-field theory

Abstract

The recently proposed center-focused post-processing procedure [Phys. Rev. Res. 2, 033476 (2020)] of cellular dynamical mean-field theory suggests that central sites of large impurity clusters are closer to the exact solution of the Hubbard model than the edge sites. In this paper, we systematically investigate results in the spirit of this center-focused scheme for several cluster sizes up to 8×8 in and out of particle-hole symmetry. First we analyze the metal-insulator crossovers and transitions of the half-filled Hubbard model on a simple square lattice. We find that the critical interaction of the crossover is reduced with increasing cluster sizes and the critical temperature abruptly drops for the 4×4 cluster. Second, for this cluster size, we apply the center-focused scheme to a system with more realistic tight-binding parameters, investigating its pseudogap regime as a function of temperature and doping, where we find doping dependent metal-insulator crossovers, Lifshitz transitions and a strongly renormalized Fermi-liquid regime. Additionally to diagnosing the real space origin of the suppressed antinodal spectral weight in the pseudogap regime, we can infer hints towards underlying charge ordering tendencies.