Magnetovolume effect in Fe-rich rare-earth compounds: Nd5Fe 17H16

R. F. Sabiryanov, S. S. Jaswal

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2 Scopus citations


Curie temperatures (Tc) of Fe-rich rare-earth compounds are very sensitive to the changes in the hybridization. This is responsible for the well-known large increase in Tc of 2-17 compounds with interstitial and substitutional modifications. The Nd5Fe17 compound has attracted some attention recently as a possible permanent-magnet material. Hydrogenation of this compound (Nd5Fe17H 16)Produces 14.4% volume expansion and increases its Tc and magnetization by 14% and 20%, respectively. Because of the large number of atom per unit cell in this crystal (264 atoms) and the lack of information on the positions of hydrogen atoms, we perform first-principle electronic structure calculations for different volumes to study the effect of interstitial impurities such as H on the magnetic properties of Nd5Fe17 This is a resonable procedure because the primariy effect of minimally hybridizing impurity such as H is the magnetovolume effect. Because of the similar close-packed environment in Fe-rich compounds and fee iron these calculations are repeated for fee iron and the varition of Tc with the average Wigner-Seitz radius is quite similar for the two systems giving a universal curve for Fe-rich compounds. The calculated results are also in good agreement with the experimental data for Nd5Fe17H 16.

Original languageEnglish (US)
Pages (from-to)1367-1369
Number of pages3
JournalJournal of Magnetism and Magnetic Materials
Issue numberPART II
StatePublished - 2001


  • Curie temperature
  • Exchange constant
  • Hard magnetic materials
  • Magnetic moments

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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