Charge transfer satellites and multiplet splitting in X-ray photoemission spectra of late transition metal halides

K. Okada, A. Kotani, B. T. Thole

Research output: Contribution to journalArticle

104 Citations (Scopus)

Abstract

Core-level X-ray photoemission spectra (XPS) are calculated for Ni and Co dihalides with an MX6 cluster model (M = Ni, Co; X = F, Cl, Br), where intra-atomic multiplet coupling as well as covalency mixing is taken into account. The effects of the intra-atomic configuration interaction between (3s)1(3p)6(3d)n and (3s)2(3p)4(3d)n+1, which is known to be important in the 3s XPS, are treated phenomenologically. The overall spectral shape of the Ni (Co) 2p XPS can be explained by a charge transfer mechanism, and the difference in the line shape between the Ni (Co) 2p 3 2 and 2p 1 2 XPS spectra is shown to originate from the multiplet splitting of their charge transfer satellites. However, the Ni (Co) 3s XPS are so complex that it is difficult to discriminate between exchange split pairs and their charge transfer satellites. As for Co dihalides, the spectral splitting of the 3s XPS mostly represents the 3s-3d exchange splitting of the (3s)1(3d)8 configuration. However, in Ni dihalides the first satellite peak is mainly due to charge transfer.

Original languageEnglish
Pages (from-to)325-343
Number of pages19
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume58
Issue number4
DOIs
Publication statusPublished - Jun 1 1992
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Charge transfer satellites and multiplet splitting in X-ray photoemission spectra of late transition metal halides'. Together they form a unique fingerprint.

  • Cite this