相关论文: Comment on "Relevance of Cu-3d multiplet structure…

We report the detailed electronic structure of a hole-doped delafossite oxide CuCr_{1-x}Mg_{x}O_{2} (0 <= x <= 0.03) studied by photoemission spectroscopy (PES), soft x-ray absorption spectroscopy (XAS), and band-structure calculations…

In the present work the multiband p-d model for $CuO_2$-layer is treated. It was shown that for the realistic set of parameters besides Zhang-Rice two-particle singlet there is non-negligible contribution of two-particle triplet state to…

We study electronic states of multilayer cuprates in the normal phases as functions of the number of CuO_2 planes and the doping rate. The resonating valence bond wave function and the Gutzwiller approximation are used for a two-dimensional…

We present an experimental study of the dynamics of holes in the valence bands of 0, 1, and 2 dimensional undoped model cuprates, as expressed via the screening of a Cu 2p core hole. The response depends strongly upon the dimensionality and…

Using a combination of X-ray absorption spectroscopy experiments with first principle calculations, we demonstrate that insulating KCuO_2 contains Cu in an unusually-high formal-3+ valence state, the ligand-to-metal (O to Cu) charge…

The parent compound of cuprates is a charge-transfer-type Mott insulator with strong hybridization between the Cu $3d_{\mathrm x^2-y^2}$ and O $2p$ orbitals. A key question concerning the pairing mechanism is the behavior of doped holes in…

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…

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…

The flurry of theoretical and experimental studies following the report of room-temperature superconductivity at ambient pressure in Cu-substituted lead apatite Cu$_x$Pb$_{10-x}$(PO$_4$)$_6$O (`LK99') have explored whether and how this…

By in-situ change of polarization a small splitting of the Zhang-Rice singlet state band near the Fermi level has been resolved for optimum doped (x=0.4) Bi$_{2}$Sr$_{2-x}$La$_{x}$CuO$_{6+\delta}$ at the (pi,0)-point (R.Manzke et al. PRB…

We present the first ab-initio band-theory-based description of spin-compensated polarons (known as Zhang-Rice singlets) in a hole-doped cuprate, specifically one-dimensional Ca_{2+x} Y_{2-x} Cu_5 O_10. Zhang-Rice singlets are many-particle…

We have investigated the optimally doped tri-layer cuprate Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10+\delta}$ (Bi2223) by angle-resolved photoemission spectroscopy, and observed energy bands and Fermi surfaces originated from the outer and inner…

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…

The effect of zinc substitution on the local electronic structure of several cuprates is investigated using first-principles cluster calculations. Clusters comprising 5, 9, and 13 copper atoms in the cuprate plane of La$_2$CuO$_4$,…

The present paper covers the problem of parameters determination for High-$T_c$ superconductive copper oxides. Different approaches, {\it ab initio} LDA and LDA+U calculations and Generalized Tight-Binding (GTB) method for strongly…

We introduce a minimal model for 2D cuprates with the on-site Hilbert space reduced to only three effective valence centers CuO$_4^{7-,6-,5-}$ (nominally Cu$^{1+,2+,3+}$) and make use of the S=1 pseudospin formalism. Despite its seeming…

We have performed a detailed study of Cu $2p$ core-level spectra in single layer La$_{2-x}$Sr$_{x}$CuO$_{4}$, La doped Bi$_2$Sr$_{1.6}$La$_{0.4}$CuO$_{6+\delta}$ (Bi2201) and bilayer Bi$_2$Sr$_{2}$CaCu$_{2}$O$_{8+\delta}$ (Bi2212)…

We analyze the influence of the dimensionality on the Cu 2p_3/2 core level X-ray photoemission spectra of undoped cuprates. Both exchange splitting and delocalization properties are described within one framework using a multi-band Hubbard…

One central challenge in high-$T_c$ superconductivity (SC) is to derive a detailed understanding for the specific role of the $Cu$-$d_{x^2-y^2}$ and $O$-$p_{x,y}$ orbital degrees of freedom. In most theoretical studies an effective one-band…