Core-Level Spectroscopy in Early-Transition-Metal Compounds
作者： A. Kotani , T. Uozumi , K. Okada , J. C. Parlebas
DOI: 10.1007/978-3-642-57834-2_12
关键词: Analytical chemistry 、 Spectroscopy 、 Materials science 、 Valence (chemistry) 、 Absorption spectroscopy 、 X-ray photoelectron spectroscopy 、 Spectral line 、 X-ray absorption spectroscopy 、 Electron 、 Transition metal
摘要: We analyse theoretically X-ray photoemission spectra (XPS) and absorption (XAS) of early transition metal compounds with cluster model. From the analysis Ti 1s 2p XAS 2p, 3s, 3p XPS TiO2, we find that Coulomb interaction U dd between 3d electrons is as large charge transfer energy Δ (∼ 4.0 eV), covalency hybridization strength O states very large. Valence BIS are also calculated for Ti2O3 VO2, an important role pointed out. Finally, some results a systematic core-level given oxides halides Ti, V, Cr Mn.
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