Electronic structure and magnetic properties of a new class of hard magnets: R2Fe17Nx(abstract)

S. S. Jaswal, D. J. Sellmyer, G. C. Hadjipanayis, W. B. Yelon

Research output: Contribution to journalArticle

Abstract

Recently discovered R2 Fe17Nx (R=rare earth, x∼3) compounds look promising as permanent-magnet materials. The addition of N to R2Fe17 compounds almost doubles their Curie temperatures.1 It also give rise to uniaxial anisotropy in the Sm compound. We have performed spin-polarized self-consistent electronic structure calculations in order to understand the magnetic properties. Neutron diffraction and photoemission measurements are used to obtain information on nitrogen site occupancies and electronic structure. For Y2Fe 17N3, the calculated site-dependent Fe moments vary significantly from those for Y2Fe17 (up to ∼1.7 μB), and the total moment per cell agrees very well with experiment. The expansion of the lattice due to nitrogenation lowers the overlap among the Fe atoms in the ion-only planes thereby increasing their magnetic moments. This leads to an increase in their interatomic exchange interactions and hence the Curie temperature. The Fe atoms in the vicinity of the N atoms overlap strongly with the latter and thus their moments decrease.2.

Original languageEnglish (US)
Number of pages1
JournalJournal of Applied Physics
Volume70
Issue number10
DOIs
StatePublished - Dec 1 1991

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magnets
electronic structure
magnetic properties
moments
nitrogenation
atoms
rare earth compounds
permanent magnets
neutron diffraction
Curie temperature
photoelectric emission
magnetic moments
nitrogen
anisotropy
expansion
cells
ions
interactions

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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Electronic structure and magnetic properties of a new class of hard magnets : R2Fe17Nx(abstract). / Jaswal, S. S.; Sellmyer, D. J.; Hadjipanayis, G. C.; Yelon, W. B.

In: Journal of Applied Physics, Vol. 70, No. 10, 01.12.1991.

Research output: Contribution to journalArticle

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N2 - Recently discovered R2 Fe17Nx (R=rare earth, x∼3) compounds look promising as permanent-magnet materials. The addition of N to R2Fe17 compounds almost doubles their Curie temperatures.1 It also give rise to uniaxial anisotropy in the Sm compound. We have performed spin-polarized self-consistent electronic structure calculations in order to understand the magnetic properties. Neutron diffraction and photoemission measurements are used to obtain information on nitrogen site occupancies and electronic structure. For Y2Fe 17N3, the calculated site-dependent Fe moments vary significantly from those for Y2Fe17 (up to ∼1.7 μB), and the total moment per cell agrees very well with experiment. The expansion of the lattice due to nitrogenation lowers the overlap among the Fe atoms in the ion-only planes thereby increasing their magnetic moments. This leads to an increase in their interatomic exchange interactions and hence the Curie temperature. The Fe atoms in the vicinity of the N atoms overlap strongly with the latter and thus their moments decrease.2.

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