Ab initio calculations of the Curie temperature of complex permanent-magnet materials: Sm2Fe16A (A=Ga, Si)

R. F. Sabiryanov, S. S. Jaswal

Research output: Contribution to journalArticle

24 Scopus citations

Abstract

A low concentration of substitutional impurities such as Ga or Si in R2Fe17 (R=rare earth) raises its Curie temperature. Self-consistent spin-polarized electronic-structure calculations are performed and exchange parameters (Jij) are derived from first-principles for pure Sm2Fe17 and Sm2Fe16A (A=Ga, Si). The changes in exchange parameters with doping are related to the magnetovolume effect and the lowering of hybridization of the iron atoms. Monte Carlo simulations have been performed using the calculated Jij's to derive the Curie temperature of phases containing Ga and Si impurities. The results are in very good agreement with the experimental data.

Original languageEnglish (US)
Pages (from-to)5615-5617
Number of pages3
JournalJournal of Applied Physics
Volume81
Issue number8 PART 2B
DOIs
StatePublished - Apr 15 1997

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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