Magnetovolume effect in Fe-rich rare-earth compounds

Nd5Fe 17H16

Renat F Sabirianov, S. S. Jaswal

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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
Volume226-230
Issue numberPART II
DOIs
StatePublished - Jan 1 2001

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Rare earth compounds
rare earth compounds
Atoms
interstitials
Iron Compounds
Impurities
Iron
iron
impurities
Curie temperature
permanent magnets
Permanent magnets
Hydrogenation
hydrogenation
Electronic structure
atoms
Hydrogen
Magnetization
hydrogen atoms
Magnetic properties

Keywords

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

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Magnetovolume effect in Fe-rich rare-earth compounds : Nd5Fe 17H16. / Sabirianov, Renat F; Jaswal, S. S.

In: Journal of Magnetism and Magnetic Materials, Vol. 226-230, No. PART II, 01.01.2001, p. 1367-1369.

Research output: Contribution to journalArticle

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