• M. G. Shelyapina
  • D. Fruchart
  • E. K. Hlil
  • S. Miraglia
  • D. S. Dos Santos
  • S. S.M. Tavares
  • J. Toboła

The electronic and magnetic structures of Pd1-yNiy alloys were calculated using the charge and spin self-consistent Korringa-Kohn-Rostoker method combined with the coherent potential approximation (KKR-CPA). The total and atomic magnetic moments were estimated versus y, the nickel concentration. For 0.0 1 ≤ y ≤ 0.1 and 0.5 ≤ y ≤ 0.99, the magnetic moment of Ni does not vary, being respectively 0.44 and 0.69 μB/f.u., and for intermediate compositions it increases linearly with y. For several Ni contents, the total and atomic magnetic moments were calculated versus x for Pd1-yNiyHx and then compared with other theoretical and experimental data.

Original languageEnglish
Pages (from-to)218-222
Number of pages5
JournalJournal of Alloys and Compounds
Volume356-357
DOIs
StatePublished - 11 Aug 2003
EventProceedings of the Eight International Symposium on Metal Hyd (MH 2002) - Annecy, France
Duration: 2 Sep 20026 Sep 2002

    Research areas

  • Electronic structure calculations, Metal hydrides, PdNi alloys

    Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

ID: 99521711