Electronic structure ofNi and alloys

Zs Kovács, J. Pálinkás, L. Kövér, D. Varga

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Experimental Al (Formula presented)V and Ni LMM Auger and high-resolution valence band XPS spectra of (Formula presented)Ni and (Formula presented) alloys are presented and compared to the corresponding spectra of pure metals. The spectra are interpreted in terms of the results of the discrete-variational (DV)-Xα cluster MO model using atomic Auger transition probabilities. Good agreement has been obtained between the theory and experiment concerning the energy widths of the spectra. For (Formula presented)Ni the total number of electrons at the Fermi level obtained from the calculations agrees better with the experimental value than those from previous calculations. In the case of the alloys, the calculated charge transfer is small (<0.4 electrons), playing only a minor role in the filling of the Ni d band. The hybridization between the Ni d and Al s and p bands can be deduced from the reduction of the Al s and p DOS at the Ni d resonance energy. Our results suggest that for these alloys the corresponding Auger matrix elements do not depend on the Auger transition energy. The Ni LMM spectra of the alloys demonstrate the localization of the Ni d band.

Original languageEnglish
Pages (from-to)8501-8505
Number of pages5
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume54
Issue number12
DOIs
Publication statusPublished - Jan 1 1996

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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