作者: N. Thromat , M. Gautier-Soyer , J. P. Crocombette , M. Pollak , F. Jollet
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摘要: The influence of local order around the iron site on Fe 2p x-ray-absorption spectra is studied for \ensuremath{\alpha}-${\mathrm{Fe}}_{2}$${\mathrm{O}}_{3}$, FeO, ${\mathrm{Fe}}_{3}$${\mathrm{O}}_{4}$, and \ensuremath{\gamma}-${\mathrm{Fe}}_{2}$${\mathrm{O}}_{3}$. experimental are accounted thanks to a configuration-interaction calculation ${\mathit{L}}_{2,3}$ edge shapes, explicitly taking into account exact first-neighbor surrounding cation acting through crystal-field splitting hopping terms. peak's splittings intensities well reproduced: contributions various symmetries valencies discriminated. nature insulating gap each compound deduced.