The authors systematically characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The DQMC results agree well with those from cuprate experiments, such as photoemission, and enable the identification of orbital content in the bands. A comparison of DQMC results to those from exact diagonalization and cluster perturbation theory elucidates how these different numerical techniques complement one another to produce a more complete understanding of the model and the cuprates.
We study the three-band Hubbard model for the cuprate superconductors using Quantum Monte Carlo simulations and the fluctuation exchange approximation including a self-consistent many-body renormalization of the single-particle propagator. The energy dispersion of the low-lying one-particle excitations is in very good agreement with spectroscopic measurements for a hole doping concentration δ = 0.25 of the CuO2 planes. At the same doping, we examine the spin susceptibility yielding a non-ordered phase with short-range incommensurate fluctuations near the antiferromagnetic wave vector. In the superconducting regime, the interaction vertex for the pairing correlation function in the extended s-wave channel shows a maximum for δ = 0.20, resembling the dependence of transition temperature Tc on doping.
Motivated by the recent experimental demonstration of the doping dependence of the linear-in-temperature resistivity coefficient in cuprates, we numerically investigated the three-orbital Emery model focusing on the slope of the
T-linear electronic and quasiparticle scattering rates by adopting dynamical cluster quantum Monte Carlo simulations. Our exploration discovered that the slope of electronic scattering rate evolves linearly with the electron doping; while it is inversely proportional to the hole-doping level at the intermediate doping regime and then crossovers to the linearlike dependence on further hole doping. These features remarkably match with the experimental findings qualitatively. We further discuss the doping-dependent slope of the quasiparticle scattering rate and also estimate the resistivity coefficient. Our presented work provides promising insight on the three-orbital Emery model, particularly its doping evolution and connection to the underlying mechanism of the
T-linear resistivity in cuprates.