作者
JC Parlebas, MA Khan, T Uozumi, K Okada, A Kotani
发表日期
1995/3/6
期刊
Journal of electron spectroscopy and related phenomena
卷号
71
期号
2
页码范围
117-139
出版商
Elsevier
简介
Core level X-ray photoemission and absorption spectra (XPS and XAS) are calculated for some transition metal (TM) insulating compounds, especially oxides, using a configuration-interaction impurity-Anderson model combined with the influences of the core effect. Our model calculation is able to explain well the core-XPS of a series of early TM compounds, characterized by a nominally 3d0 configuration in the ground state, including those compounds which involve pre-transitional elements such as potassium or calcium. The standard “linear muffin-tin orbital” (LMTO) band structure for TiO2 compounds in rutile structure is recalled and compared to experimental valence photoemission spectra. A few characteristics of the outcoming density of states (DOS) are used to interpret the Ti2p XPS in the simplest way within the previously considered Anderson model; however, for the onset of the Ti K-edge XAS, the …
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