Related papers: Oxygen hole content, charge-transfer gap, covalenc…
We use first-principles calculations to extract two essential microscopic parameters, the charge-transfer energy and the inter-cell oxygen-oxygen hopping, which correlate with the maximum superconducting transition temperature $\Tcmax$…
The three-band model relevant to high temperature copper-oxide superconductors is solved using single-site dynamical mean field theory and a tight-binding parametrization of the copper and oxygen bands. For a band filling of one hole per…
High-temperature superconductivity emerges in the CuO$_2$ plane upon doping a Mott insulator. To ascertain the influence of Mott physics plus short-range correlations, we solve a three-band copper-oxide model in the charge-transfer regime…
The three-band Hubbard model is a fundamental model for understanding properties of the Copper-Oxygen planes in cuprate superconductors. We use cutting-edge auxiliary-field quantum Monte Carlo (AFQMC) methods to investigate ground state…
One of the biggest puzzles concerning the cuprate high temperature superconductors is what determines the maximum transition temperature (Tc,max), which varies from less than 30 K to above 130 K in different compounds. Despite this dramatic…
To understand the link between doping and electronic properties in high temperature superconductors, we report first-principles calculations on the oxygen doping effect for the single layer cuprate HgBa$_2$CuO$_{4+\delta}$. The doping…
An intricate interplay between superconductivity, pseudogap and Mott transition, either bandwidth driven or doping driven, occurs in materials. Layered organic conductors and cuprates offer two prime examples. We provide a unified…
The elementary CuO2 plane sustaining cuprate high-temperature superconductivity occurs typically at the base of a periodic array of edge-sharing CuO5 pyramids. Virtual transitions of electrons between adjacent planar Cu and O atoms,…
We utilize a 1d Hubbard model to show that the superconductivity in cuprate superconductors likely arises due to the orbital entanglement between holes in the copper oxide plane mediated by orbitally-selective charge hopping. The main role…
We study the three-band Hubbard model for the copper oxide plane of the high-temperature superconducting cuprates using determinant quantum Monte Carlo and the dynamical cluster approximation (DCA) and provide a comprehensive view of the…
Where the doped holes reside in cuprate superconductors has crucial implications for the understanding of the mechanism responsible for their high temperature superconductivity. It has been generally assumed that doped holes reside in…
We explore the superconducting properties of the bilayer Hubbard model, which exhibits a high transition temperature ($T_{\rm c}$) for an $s_{\pm}$ pairing, using a cluster extension of the dynamical mean-field theory. Unlike the…
We argue that in cuprate physics there are two types, hole content per CuO$_2$ plane ($P_{pl}$) and the corresponding hole content per unit volume ($P_{3D}$), of hole-doping concentrations for addressing physical properties that are…
In the hole-doped cuprate superconductors, the superconducting transition temperature $T_c$ exhibits a dome-like feature against the doping rate. By contrast, recent experiments reveal that $T_c$ in the electron-doped systems monotonically…
We present results on heavily underdoped Y_1-xCa_xBa_2Cu_3O_6+y which provide the evidence that the doping mechanism (cation substitution or oxygen loading) directly determines whether the corresponding injected mobile holes contribute to…
Motivated by the highest superconducting transition temperature ($T_c$) in multilayer cuprates,we investigated the trilayer Hubbard model by adopting the large-scale dynamical cluster quantum Monte Carlo simulations. Focusing on the systems…
The free energy expansion of a two-band pair-transfer superconductor is developed. A critical in temperature and a noncritical coherence length appear. The effective in-plane $\xi_{ab}$, $H_{c2}\sp c\sim \xi_{ab}\sp{-2}$ and the…
The theory of hole superconductivity explains high temperature superconductivity in cuprates as driven by pairing of hole carriers in oxygen $p\pi$ orbitals in the highly negatively charged $Cu-O$ planes. The pairing mechanism is hole…
In this work, the concentration and temperature dependences of the superconducting gap of the HTSC cuprate in the orthorhombic phase are obtained within the framework of the Hubbard model taking into account the exchange mechanism of…
We investigate the effect of oxygen-oxygen hopping on the three-band copper-oxide model relevant to high-$T_c$ cuprates, finding that the physics is changed only slightly as the oxygen-oxygen hopping is varied. The location of the…