First-principle studies of permanent-magnet materials

S. S. Jaswal; R. F. Sabiryanov

doi:10.1557/proc-577-109

First-principle studies of permanent-magnet materials

S. S. Jaswal, R. F. Sabiryanov

Physics

Research output: Contribution to journal › Conference article › peer-review

1 Scopus citations

Abstract

First-principle electronic structure studies complement experimental research on hard-magnet materials. Since the discovery of Nd₂Fe₁₄B in 1984, the research in this area has been concentrated on T(Fe,Co)-rich rare-earth compounds such as RT₁₂ and R₂T₁₇ and exchange coupled hard/soft phases. Self-consistent spin-polarized electronic structure calculations are carried out for the sequence YFe₂ → YFe₃ → Y₂Fe₁₇ → YFe₁₂ to study the variation of the magnetization and Curie temperature as a function of the Fe concentration. Calculations are performed for R₂T₁₇ systems which show significant improvements in their Curie temperatures with interstitial and substitutional modifications. The calculated results are compared with the available experimental data. Computer simulations are carried out for FePt/Fe and SmCo₅/Co_1-xFe_x hard/soft multilayers.

Original language	English (US)
Pages (from-to)	109-119
Number of pages	11
Journal	Materials Research Society Symposium - Proceedings
Volume	577
DOIs	https://doi.org/10.1557/proc-577-109
State	Published - 1999
Event	Proceedings of the 1999 MRS Spring Meeting - Symposium H: Advanced Hard Magnets-Principles, Materials, and Processing - Symposium I: Amorphous and Nanocrystalline Materials for Hard and Soft Magnetic Applications - San Francisco, CA, USA Duration: Apr 5 1998 → Apr 8 1998

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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title = "First-principle studies of permanent-magnet materials",

abstract = "First-principle electronic structure studies complement experimental research on hard-magnet materials. Since the discovery of Nd2Fe14B in 1984, the research in this area has been concentrated on T(Fe,Co)-rich rare-earth compounds such as RT12 and R2T17 and exchange coupled hard/soft phases. Self-consistent spin-polarized electronic structure calculations are carried out for the sequence YFe2 → YFe3 → Y2Fe17 → YFe12 to study the variation of the magnetization and Curie temperature as a function of the Fe concentration. Calculations are performed for R2T17 systems which show significant improvements in their Curie temperatures with interstitial and substitutional modifications. The calculated results are compared with the available experimental data. Computer simulations are carried out for FePt/Fe and SmCo5/Co1-xFex hard/soft multilayers.",

author = "Jaswal, {S. S.} and Sabiryanov, {R. F.}",

year = "1999",

doi = "10.1557/proc-577-109",

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AU - Jaswal, S. S.

AU - Sabiryanov, R. F.

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AB - First-principle electronic structure studies complement experimental research on hard-magnet materials. Since the discovery of Nd2Fe14B in 1984, the research in this area has been concentrated on T(Fe,Co)-rich rare-earth compounds such as RT12 and R2T17 and exchange coupled hard/soft phases. Self-consistent spin-polarized electronic structure calculations are carried out for the sequence YFe2 → YFe3 → Y2Fe17 → YFe12 to study the variation of the magnetization and Curie temperature as a function of the Fe concentration. Calculations are performed for R2T17 systems which show significant improvements in their Curie temperatures with interstitial and substitutional modifications. The calculated results are compared with the available experimental data. Computer simulations are carried out for FePt/Fe and SmCo5/Co1-xFex hard/soft multilayers.

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First-principle studies of permanent-magnet materials

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