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- W2048813762 abstract "X-ray (Al-Kensuremath{alpha}) and resonant Cu 2pensuremath{rightarrow}3d and Cu 3pensuremath{rightarrow}3d photoemission valence-band spectra of high-quality ${mathrm{CuGeO}}_{3}$ single crystals are reported and interpreted. In addition, an attempt is given to evaluate the charge transfer (ensuremath{Delta}), the d-d Coulomb interaction (${mathrm{U}}_{mathrm{dd}}$ ) energies, and the superexchange term (J) on the basis of ${mathrm{L}}_{2,3}$ ${mathrm{M}}_{4,5}$ ${mathrm{M}}_{4,5}$ -${mathrm{L}}_{2,3}$ ${mathrm{M}}_{2,3}$ ${mathrm{M}}_{4,5}$ Auger transitions, and core-level spectra analyzed within the frame of the Anderson Hamiltonian in the impurity limit. The results clearly show that one-electron band-structure calculations do not account for the band gap ensuremath{approx}3.7 eV [M. Bassi, P. Camagni, R. Rolli, G. Samoggia, F. Parmigiani, and A. Revcolevschi (unpublished)] and the emission arising from many-body effects (correlated ${mathrm{d}}^{8}$ and ${mathrm{d}}^{8}$ -${mathrm{d}}^{9}$ L hybridized states), while ensuremath{Delta} and ${mathrm{U}}_{mathrm{dd}}$ , found to be ensuremath{approx}4.2 and ensuremath{approx}6.7 eV, respectively, allow us to classify this compound as a charge-transfer insulator with a strong ionic character. In addition, energy-dependent electron-energy-loss measurements suggest that the forbidden d-d intraband transitions are centered at ensuremath{approx}1.6 eV, which justifies the blue color of ${mathrm{CuGeO}}_{3}$ , and the band gap is ensuremath{approx}3.7 eV, as required by the transparency of the crystal in the visible region of the electromagnetic spectrum. Finally, in the approximation allowed by the present models, J results to be of the order of -7 meV." @default.
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- W2048813762 date "1997-01-15" @default.
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- W2048813762 title "Electron-spectroscopy study of correlation mechanisms inCuGeO3ssingle crystals" @default.
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- W2048813762 doi "https://doi.org/10.1103/physrevb.55.1459" @default.
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