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The recently discovered cuprate superconductor Ba$_2$CuO$_{3+\delta}$ exhibits a high $T_c\simeq73$K at $\delta\simeq0.2$. The polycrystal grown under high pressure has a structure similar to La$_2$CuO$_4$, but with dramatically different…
Cuprate superconductors have attracted extensive attention due to high critical temperatures. Conventional cuprates typically contain perfect CuO$_2$ planes which are considered as a key factor to superconductivity since the…
An intact CuO$_2$ plane is widely believed to be a prerequisite for the high-$T_c$ superconductivity in cuprate superconductors. However, an exception may exist in the superconducting Ba$_2$CuO$_{3+\delta}$ materials where CuO chains play a…
We study the phase transition in Cu-substituted iron-based superconductors with a new developed real-space Green's function method. We find that Cu substitution has strong effect on the orbital-selective Mott transition introduced by the…
Copper oxide high temperature superconductors universally exhibit multiple forms of electronically ordered phases that break the native translational symmetry of the CuO2 planes. The interplay between these orders and the superconducting…
The recent detailed study of quasi-one-dimensional iron-based ladders, with the $3d$ iron electronic density $n = 6$, has unveiled surprises, such as orbital-selective phases. However, similar studies for $n=6$ iron chains are still rare.…
In this study, we perform a numerical simulation on the recently discovered high-temperature superconductor ($T_c$= 73K) Ba$_2$CuO$_{3.2}$ \cite{lietal} while focusing on doping dependence of alternating CuO$_6$ octahedra and CuO chain-like…
We study the effects of electron-electron interactions and hole doping on the electronic structure of Cu-doped NaFeAs using the density functional theory plus dynamical mean-field theory (DFT+DMFT) method. In particular, we employ an…
We analyze the two-orbital (with $d_{x^2-y^2}$ and $d_{3z^2-r^2}$ orbitals) analogue of the $t$-$J$-$U$ model as applied to the description of the copper-oxide monolayer deposited on the Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ substrate…
High temperature superconductivity in cuprate superconductors is generally considered to be generated from doping the Mott insulators. The fundamental nature of the doped parent compounds as well as the microscopic origin of electron…
The phase diagram of the high-Tc cuprates is dominated by the Mott insulating phase of the parent compounds. As we approach it from large doping, a standard Fermi-liquid gradually turns into a bad non-Fermi liquid metal, a process which…
We studied the relationship between the charge doping and the correlation, and its effects on the spectral function of the BaFe$_2$As$_2$ compound in the framework of the density functional theory combined with the dynamical mean field…
We study the electronic structure and superconductivity in CuO$_2$ monolayer grown recently on $d$-wave cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$. Density functional theory calculations indicate significant charge transfer…
Low-energy instabilities in the hole doped cuprates include, besides short range antiferromagnetic fluctuations and superconductivity, also ubiquitous translational and rotational symmetry breakings. The overwhelming majority of…
Finding a material that turns superconducting under ambient conditions has been the goal of over a century of research, and recently Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O aka LK-99 has been put forward as a possible contestant. In this work, we…
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,…
High temperature superconductivity in cuprates is realized by doping the Mott insulator with charge carriers. A central issue is how such an insulating state can evolve into a conducting or superconducting state when charge carriers are…
The currently established electronic phase diagram of cuprates is based on a study of single- and double-layered compounds. These CuO$_2$ planes, however, are directly contacted with dopant layers, thus inevitably disordered with an…
The doping and temperature dependent optical conductivity spectra of the quasi-two-dimensional Ca_{2-x}Sr_xRuO_4 (0.0=<x=<2.0) system were investigated. In the Mott insulating state, two electron correlation-induced peaks were observed…
We present the influences of electronic and magnetic correlations and doping evolution on the groundstate properties of recently discovered superconductor Ba$_{2}$CuO$_{4-\delta}$ by utilizing the Kotliar-Ruckenstein slave boson method.…