L-2,L-3 x-ray absorption spectroscopy and multiplet calculations for KMF3 and K2NaMF6 (M = Ni, Cu)

C De Nadai*, A Demourges, J Grannec, FMF de Groot

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

Abstract

The electronic structures of nickel and copper have been studied for KMF3 and K2NaMF6 compounds by a-ray absorption spectroscopy at the Ni and Cu L-2.3 edges in order to characterize the M-F chemical bond. The spectral features have been interpreted based on the mixing of two ground-state configurations \3d(n)) +\3d(n+1)](L) under bar. Multiplet calculations were used to simulate each spectrum in order to quantify the charge transfer from fluorine to the transition metal yielding a 40% ground-state contribution of the 3d(8) configuration for K2NaCuF6 and 65% of the 3d(7) configuration for K2NaNiF6.

Original languageEnglish
Article number125123
Number of pages6
JournalPhysical review. B, Condensed matter and materials physics
Volume63
Issue number12
DOIs
Publication statusPublished - 15 Mar 2001

Keywords

  • TRANSITION-METAL COMPOUNDS
  • ELECTRONIC-STRUCTURE
  • K-EDGE
  • SPECTRA
  • PHOTOEMISSION
  • LA2LI1/2CU1/2O4
  • ND2LI1/2NI1/2O4
  • PEROVSKITES
  • VALENCE
  • STATE

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