Valence states of titanium atoms in non-stoichiometric carbides: X-ray emission spectra and cluster calculations

V. A. Gubanov*, E. Z. Kurmaev, D. E. Ellis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

24 Scopus citations

Abstract

The K beta 5 and L alpha X-ray emission bands of titanium carbide and the compound TiC 0.65 are considered. Splittings of the bands have been found for the non-stoichiometric compound. Based upon the correspondence between experimental spectra and the results obtained in MO-LCAO calculations on both defect clusters and complete clusters, the authors conclude that the deviation from stoichiometry causes a change of valency for the transition metal. That valency change leads to an increase in the electronic density of states near the Fermi energy mainly associated with metal d character. No evidence for significant electron localisation at vacancy sites has been found either in theoretical or experimental results.

Original languageEnglish (US)
Article number016
Pages (from-to)5567-5574
Number of pages8
JournalJournal of Physics C: Solid State Physics
Volume14
Issue number35
DOIs
StatePublished - Dec 1 1981

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Engineering(all)
  • Physics and Astronomy(all)

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