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• W2073186219 endingPage "8600" @default.
• W2073186219 startingPage "8590" @default.
• W2073186219 abstract "The qualitative and quantitative features of the electronic charge distribution in cuprate superconductors are reexamined on the basis of a comprehensive set of nuclear quadrupole resonance and NMR measurements. A systematic analysis of measured electric-field gradients is performed within the tight-binding approach, commonly used for electronic models in cuprates. Both in-plane and out-of-plane sites and orbitals are considered. Special attention is given to the generic $mathrm{pd}$ model involving only the $ensuremath{sigma}$ orbitals in the ${mathrm{CuO}}_{2}$ planes. This model is checked against the experimental data. The physical origin of several material-dependent features is clarified. It is shown that in ${mathrm{La}}_{2ensuremath{-}x}{mathrm{Sr}}_{x}{mathrm{CuO}}_{4}$ the ${3d}_{{3z}^{2}ensuremath{-}{r}^{2}}$ orbital of the in-plane copper and the ${2p}_{z}$ apex oxygen orbital are occupied by a substantially smaller fraction of holes than the in-plane $ensuremath{sigma}$ orbitals, at variance with proposals lending importance to copper-apex oxygen hybridization. At the in-plane oxygen site a sizable ${2p}_{z}$ admixture is found at the Fermi level of ${mathrm{YBa}}_{2}{mathrm{Cu}}_{3}{mathrm{O}}_{7}$. The in-plane charge distribution of ${mathrm{Tl}}_{2}{mathrm{Ba}}_{2}{mathrm{CuO}}_{4}$ is found to be qualitatively similar to that of the high-temperature tetragonal phase of ${mathrm{La}}_{2ensuremath{-}x}{mathrm{Sr}}_{x}{mathrm{CuO}}_{4}$. It appears that the additional holes are shared among copper and oxygen sites in similar proportions. This is shown to be compatible with the large ${U}_{d}$ Emery model provided that the difference between the $p$ and $d$ atomic energies is comparable to the first neighbor overlap energy." @default.
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• W2073186219 date "1998-04-01" @default.
• W2073186219 modified "2023-10-16" @default.
• W2073186219 title "Electric-field-gradient analysis of high-Tcsuperconductors" @default.
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• W2073186219 doi "https://doi.org/10.1103/physrevb.57.8590" @default.
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