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

R. F. Sabirianov; A. Kashyap; R. Skomski; S. S. Jaswal; D. J. Sellmyer

doi:10.1063/1.1792791

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

R. F. Sabirianov, A. Kashyap, R. Skomski, S. S. Jaswal, D. J. Sellmyer

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Abstract

The microchemistry and magnetism of Sm-Co permanent magnets were analyzed using first-principles calculations. It was found that when Sm-Co system was doped with Cu, Sm-Co phase was formed, where Zr and Ti were present in both phases facilitating the production of a microstructure fit to create coercivity. Impurities of Cu, Ti, and Zr were computed at each inequivalent position of the Co sites, along with the energies of the basis compounds. It was found that Cu, showing a high solubility in the 1:5 phase, resulted in the phase segregation and tuned the anisotropy of the grain boundary phase.

Original language	English (US)
Pages (from-to)	2286-2288
Number of pages	3
Journal	Applied Physics Letters
Volume	85
Issue number	12
DOIs	https://doi.org/10.1063/1.1792791
State	Published - Sep 20 2004

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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title = "First principles study of transition-metal substitutions in Sm-Co permanent magnets",

abstract = "The microchemistry and magnetism of Sm-Co permanent magnets were analyzed using first-principles calculations. It was found that when Sm-Co system was doped with Cu, Sm-Co phase was formed, where Zr and Ti were present in both phases facilitating the production of a microstructure fit to create coercivity. Impurities of Cu, Ti, and Zr were computed at each inequivalent position of the Co sites, along with the energies of the basis compounds. It was found that Cu, showing a high solubility in the 1:5 phase, resulted in the phase segregation and tuned the anisotropy of the grain boundary phase.",

author = "Sabirianov, {R. F.} and A. Kashyap and R. Skomski and Jaswal, {S. S.} and Sellmyer, {D. J.}",

note = "Funding Information: This research is supported by AFOSR, DOE, NSF MRSEC, and by CMRA.",

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T1 - First principles study of transition-metal substitutions in Sm-Co permanent magnets

AU - Sabirianov, R. F.

AU - Kashyap, A.

AU - Skomski, R.

AU - Jaswal, S. S.

AU - Sellmyer, D. J.

N1 - Funding Information: This research is supported by AFOSR, DOE, NSF MRSEC, and by CMRA.

PY - 2004/9/20

Y1 - 2004/9/20

N2 - The microchemistry and magnetism of Sm-Co permanent magnets were analyzed using first-principles calculations. It was found that when Sm-Co system was doped with Cu, Sm-Co phase was formed, where Zr and Ti were present in both phases facilitating the production of a microstructure fit to create coercivity. Impurities of Cu, Ti, and Zr were computed at each inequivalent position of the Co sites, along with the energies of the basis compounds. It was found that Cu, showing a high solubility in the 1:5 phase, resulted in the phase segregation and tuned the anisotropy of the grain boundary phase.

AB - The microchemistry and magnetism of Sm-Co permanent magnets were analyzed using first-principles calculations. It was found that when Sm-Co system was doped with Cu, Sm-Co phase was formed, where Zr and Ti were present in both phases facilitating the production of a microstructure fit to create coercivity. Impurities of Cu, Ti, and Zr were computed at each inequivalent position of the Co sites, along with the energies of the basis compounds. It was found that Cu, showing a high solubility in the 1:5 phase, resulted in the phase segregation and tuned the anisotropy of the grain boundary phase.

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

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