Calculation of the K-absorption edge and its chemical shift of common metals

Michihide Kitamura*, H. D. Chen

*Corresponding author for this work

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

Self-consistent field calculations are systematically carried out for common metals Cr, Mn, Fe, Co, Ni, Cu and Zn atoms and ions in order to understand the K-absorption edge and its chemical shift. It is found that: (1) a transition state introduced by Slater is very useful to predict the absorption edge energy; (2) there is a linear correlation between the absorption edge chemical shift and the cation charge of a crystal; and (3) the present model is applicable to ionic bonded crystals but is not very good for covalent ones.

Original languageEnglish
Pages (from-to)731-734
Number of pages4
JournalJournal of Physics and Chemistry of Solids
Volume52
Issue number5
DOIs
StatePublished - 1 Jan 1991

Keywords

  • chemical shift
  • common metals
  • K-absorption edge
  • self-consistent calculation

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