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First-Principle Studies of Permanent-Magnet Materials

Published online by Cambridge University Press:  21 February 2011

S.S. Jaswal  and
R.F. Sabiryanov
S.S. Jaswal
Affiliation:
Behlen Laboratory of Physics and Center for Materials Research and Analysis, University of Nebraska-Lincoln, Lincoln, NE 68588-0111
R.F. Sabiryanov
Affiliation:
Behlen Laboratory of Physics and Center for Materials Research and Analysis, University of Nebraska-Lincoln, Lincoln, NE 68588-0111
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Abstract

First-principle electronic structure studies complement experimental research on hard-magnet materials. Since the discovery of Nd 2Fel4B 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 YFc2→ 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−x -Fex, hard/soft multilayers.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 577: Symposium H – Advanced Hard and Soft Magnetic Materials , 1999 , 109
Copyright
Copyright © Materials Research Society 1999

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