Related papers: Electron correlations and bond-length fluctuations…

Charge-order stripes of different types occur when copper oxides are doped with either heterovalent metal, like $La_{2-x}Sr_xCuO_4$, or oxygen, like $YBa_2Cu_3O_{6+y}$. The difference shows up in the doping dependence of their…

Highly-symmetric three-band Hubbard Cu-O clusters have peculiar properties when the hole number is such that they admit W=0 hole pairs. These are two-hole eigenstates of the on-site Hubbard repulsion with eigenvalue 0, get bound by…

We study the extended Hubbard model away from half-filling on a two-dimensional square lattice using cluster dynamical mean field theory on clusters of size $8$. We show that the model exhibits metallic, compressible charge ordered, and…

The Cu-$3d$ states in the high-$T_c$ cuprates are often described as a single band of $3d_{x^2-y^2}$ states, with the other four $3d$ states having about 2 to 3 eV higher energy due to the lower-than-octahedral crystal field at the copper…

Materials that exhibit both strong spin orbit coupling and electron correlation effects are predicted to host numerous new electronic states. One prominent example is the Jeff =1/2 Mott state in Sr2IrO4, where introducing carriers is…

We carry out a detailed numerical study of the three-band Hubbard model in the underdoped region both in the hole- as well as in the electron-doped case by means of the variational cluster approach. Both the phase diagram and the low-energy…

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…

A mean field calculation of the $T\to 0$ limit of the Hall conductance of electron-doped cuprates such as $Pr_{2-x}Ce_xCuO_{4+\delta}$ is presented. The data are found to be qualitatively consistent with the reconstruction of the Fermi…

Using the Quantum Monte Carlo (QMC) technique within frozen-phonon, we studied the effects of the half-breathing O$(\pi,0)$ phonon mode on the ground-state properties of the three-band Peierls-Hubbard model. Our simulations are performed…

The existing theory about the cuprate superconductor bases on band theory, almost all neglects the position difference of Cu-O ions on CuO2 plane, and assumes that the charge on ions are averagely distributed. Considering that the nature of…

We theoretically investigate inhomogeneity effects on the charges, electric field gradients and site-projected densities of states in HgBa$_2$CuO$_{4+\delta}$. We find pronounced differences in the doping-induced number of holes at…

Electron correlations play a dominant role in the charge dynamics of the cuprates. We use resonant inelastic x-ray scattering (RIXS) to track the doping dependence of the collective charge excitations in electron doped…

Using as a model the Hubbard Hamiltonian we determine various basic properties of electron-doped cuprate superconductors like ${Nd}_{2-x}{Ce}_{x}{CuO}_{4}$ and ${Pr}_{2-x}{Ce}_{x}{CuO}_{4}$ for a spin-fluctuation-induced pairing mechanism.…

The recent observation of superconductivity in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ has raised fundamental questions about the hierarchy of the underlying electronic structure. Calculations suggest that this system falls in the Mott-Hubbard regime,…

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…

LK-99, with chemical formula Pb$_{10-x}$Cu$_x$(PO4)$_6$O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of ensuing work, a variety of calculations (mostly based on…

Pr$_4$Ni$_3$O$_8$ is an overdoped analog of hole-doped layered cuprates. Here we show via ab initio calculations that Ce-doped Pr$_4$Ni$_3$O$_8$ (Pr$_3$CeNi$_3$O$_8$) has the same electronic structure as the antiferromagnetic insulating…

A review of the phenomenology and microscopy of cuprate superconductors is presented, with particular attention to universal conductance features, which reveal the existence of two electronic subsystems. The overall electronic system…

We present results of inelastic light scattering experiments on single-crystalline La$_{2-x}$Sr$_{x}$CuO$_4$ in the doping range $0.00 \le x=p \le 0.30$ and Tl$_2$Ba$_2$CuO$_{6+\delta}$ at $p=0.20$ and $p=0.24$. The main emphasis is placed…

Spin-$1/2$ chains with alternating antiferromagnetic and ferromagnetic couplings have attracted considerable interest due to the topological character of their spin excitations. Here, using density functional theory and density matrix…