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Using a combined local density functional theory (LDA-DFT) and quantum Monte Carlo (QMC) dynamic cluster approximation approach, the parameter dependence of the superconducting transition temperature Tc of several single-layer hole-doped cuprate superconductors with experimentally very different Tcmax is investigated. The parameters of two different three-band Hubbard models are obtained using the LDA and the downfolding Nth-order muffin-tin orbital technique with N=0 and 1 respectively. QMC calculations on 4-site clusters show that the d-wave transition temperature Tc depends sensitively on the parameters. While the N=1 MTO basis set which reproduces all three $pdsigma$ bands leads to a d-wave transition, the N=0 set which merely reproduces the LDA Fermi surface and velocities does not.
A comprehensive angle resolved photoemission spectroscopy study of the band structure in single layer cuprates is presented with the aim of uncovering universal trends across different materials. Five different hole- and electron-doped cuprate superc
Hole-doped cuprate high temperature superconductors have ushered in the modern era of high temperature superconductivity (HTS) and have continued to be at center stage in the field. Extensive studies have been made, many compounds discovered, volumin
The conventional tensor-network states employ real-space product states as reference wave functions. Here, we propose a many-variable variational Monte Carlo (mVMC) method combined with tensor networks by taking advantages of both to study fermionic
Extended solids are frequently simulated as finite systems with periodic boundary conditions, which due to the long-range nature of the Coulomb interaction may lead to slowly decaying finite- size errors. In the case of Quantum-Monte-Carlo simulation
High-temperature superconductivity (HTSC) mysteriously emerges upon doping holes or electrons into insulating copper oxides with antiferromagnetic (AFM) order. It has been thought that the large energy scale of magnetic excitations, compared to phono