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. Research 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 $8\times 8$ 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 $4\times 4$ 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.

31 pages, 16 figures

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• Two $T$-linear scattering rate regimes in the triangular lattice Hubbard model
• The finite-difference parquet method: Enhanced electron-paramagnon scattering opens a pseudogap
• Signatures of the Fermi surface reconstruction of a doped Mott insulator in a slab geometry
• Bath parameterization in multi-band cluster Dynamical Mean-Field Theory
• Coherent cellular dynamical mean-field theory: a real-space quantum embedding approach to disorder in strongly correlated electron systems
• Pseudogap and strange metal states in the square-lattice Hubbard model: A comprehensive study
• Disentangling real space fluctuations: the diagnostics of metal-insulator transitions beyond single-particle spectral functions
• Non-perturbative effects of short-range spatial correlations at the two-particle level
• Probing the pseudogap and beyond: Examining single-particle properties of the hole- and electron-doped Hubbard model