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- W2054330710 abstract "A general two-center six-band Hamiltonian, including copper ${mathit{d}}_{mathit{x}}^{2}$-${mathit{y}}^{2}$ and ${mathit{d}}_{3mathit{z}}^{2}$-${mathit{r}}^{2}$ as well as oxygen ${mathit{p}}_{mathrm{ensuremath{sigma}}}$ and apical ${mathit{p}}_{mathit{z}}$ orbitals, is used to calculate the electronic structure of copper-oxide superconductors, within a mean-field approximation. Size effects as well as the role of apical oxygen have been investigated in clusters of different sizes as a function of doping. For square clusters (2nifmmodetimeselsetexttimesfi{}2n) three low-energy self-consistent solutions have been found. The lowest-energy solution is of the charge- and spin-bag type, being characterized by enhanced Zhang-Rice correlations and a broad density-of-states structure in the Fermi-level (${mathit{E}}_{mathit{F}}$) region. Although this structure has mainly nonplanar character just at ${mathit{E}}_{mathit{F}}$, its composition at the maximum, just below ${mathit{E}}_{mathit{F}}$, is comparable with experimental results. These features may be relevant in the superconducting regime." @default.
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- W2054330710 date "1994-04-01" @default.
- W2054330710 modified "2023-10-18" @default.
- W2054330710 title "Nonplanar orbital effects on charge and spin fluctuations in doped cuprate superconductors" @default.
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- W2054330710 doi "https://doi.org/10.1103/physrevb.49.9125" @default.
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