Effect of charge transfer to the conduction band within a single-impurity model on the Ni 2p core-level line shapes of Ni compounds

A. E. Bocquet, T. Mizokawa, A. Fujimori, M. Matoba, S. Anzai

研究成果: Article査読

35 被引用数 (Scopus)

抄録

We have extended the single-impurity cluster model to include the effects of charge transfer to the conduction band. It is found that these effects can have a considerable influence on the line shapes of core-level spectra of small-gap transition-metal compounds. Using a few additional, well-defined parameters to describe the interactions between the local cluster and the conduction band, and retaining the original intracluster parameters from previous single-impurity models, we find an improved agreement for the Ni 2p spectrum of NiS. The asymmetric line shape is well reproduced, keeping the correct satellite to main peak ratio, which is not possible using the three-peak structure of previous models. The new model is less successful in explaining effects beyond standard single-impurity models in more ionic compounds, such as the double-peak stucture of the main line of the core-level spectrum of NiO, where the interactions between the metal d site and the conduction band are expected to play a lesser role.

本文言語English
ページ(範囲)13838-13849
ページ数12
ジャーナルPhysical Review B
52
19
DOI
出版ステータスPublished - 1995
外部発表はい

ASJC Scopus subject areas

  • 凝縮系物理学

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