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Applied Physics Letters / Volume 85 / Issue 12 / MAGNETISM AND SUPERCONDUCTIVITY

Appl. Phys. Lett. 85, 2286 (2004); http://dx.doi.org/10.1063/1.1792791 (3 pages)

First principles study of transition-metal substitutions in Sm–Co permanent magnets

R. F. Sabirianov1,2, A. Kashyap3, R. Skomski3, S. S. Jaswal3, and D. J. Sellmyer3

1Department of Physics, University of Nebraska, Omaha Nebraska 68182
2and Center for Materials Research and Analysis, and Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588
3Center for Materials Research and Analysis, and Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588

(Received 6 January 2004; accepted 23 July 2004)

The microchemistry and magnetism of conventional and high-temperature Sm–Co permanent magnets are investigated by first-principles calculations. Particular emphasis is on the site preference for the substitution of Cu, Ti, and Zr in SmCo5 and Sm2Co17 compounds. Cu substitution is more favorable in the 1:5 phase, in agreement with experimental findings. Titanium and zirconium have positive solution energies for both the phases, with Ti(Zr) having slight preference for the 1:5 (2:17) phase. Some Zr may segregate to the phase boundaries because of its large solution energy. For Ti and Zr the dumbbell site of the 2:17 phase is preferred over the other three inequivalent cobalt sites. These results are used to discuss the observed cellular nanostructure of the high-temperature Sm–Co hard magnets with composition close to the 2:17 phase.

© 2004 American Institute of Physics

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KEYWORDS and PACS

Keywords

samarium alloys, cobalt alloys, copper alloys, titanium alloys, zirconium alloys, ab initio calculations, permanent magnets, heat of solution, magnetic transitions, segregation, magnetic moments, magnetic impurities, Curie temperature, magnetic anisotropy

PACS

  • 75.50.Ww

    Permanent magnets

  • 75.30.Kz

    Magnetic phase boundaries (including classical and quantum magnetic transitions, metamagnetism, etc.)

  • 75.30.Cr

    Saturation moments and magnetic susceptibilities

  • 75.30.Hx

    Magnetic impurity interactions

  • 75.30.Gw

    Magnetic anisotropy

  • 64.75.-g

    Phase equilibria

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.1792791

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
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