Theory of mn-based high-magnetization alloys

Arti Kashyap; Rohit Pathak; D. J. Sellmyer; Ralph Skomski

doi:10.1109/TMAG.2018.2848587

Theory of mn-based high-magnetization alloys

Arti Kashyap, Rohit Pathak, D. J. Sellmyer, Ralph Skomski

Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

The realization of the magnetic moment of Mn atoms in ferromagnetic alloys is investigated theoretically. This paper is partly motivated by the recent discovery of high-magnetization Fe-Co-Mn thin films by Snow et al., who reported moments of up to 3.25 μ_B per atom. Structural and strain effects are discussed with particular emphasis on the distinction between tetragonal martensitic lattice distortions and Bain transitions in body-centered cubic, CsCl, and Heusler alloys. It is outlined how these lattice distortions affect the electronic structure of the alloys, and ab initio calculations are used to determine the net moment of cubic Fe₆Co₆₃Mn₃₁. The calculated moment, 2.90 μB per atom, is reasonably close to the experimental value.

Original language	English (US)
Article number	8411443
Journal	IEEE Transactions on Magnetics
Volume	54
Issue number	11
DOIs	https://doi.org/10.1109/TMAG.2018.2848587
State	Published - Nov 2018

Keywords

Density functional theory (DFT)
Mn-based magnets
Permanent magnets

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Electrical and Electronic Engineering

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10.1109/TMAG.2018.2848587

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title = "Theory of mn-based high-magnetization alloys",

abstract = "The realization of the magnetic moment of Mn atoms in ferromagnetic alloys is investigated theoretically. This paper is partly motivated by the recent discovery of high-magnetization Fe-Co-Mn thin films by Snow et al., who reported moments of up to 3.25 μB per atom. Structural and strain effects are discussed with particular emphasis on the distinction between tetragonal martensitic lattice distortions and Bain transitions in body-centered cubic, CsCl, and Heusler alloys. It is outlined how these lattice distortions affect the electronic structure of the alloys, and ab initio calculations are used to determine the net moment of cubic Fe6Co63Mn31. The calculated moment, 2.90 μB per atom, is reasonably close to the experimental value.",

keywords = "Density functional theory (DFT), Mn-based magnets, Permanent magnets",

author = "Arti Kashyap and Rohit Pathak and Sellmyer, {D. J.} and Ralph Skomski",

note = "Funding Information: The authors would like to thank Y. Idzerda, L. H. Lewis, P. Manchanda, and W. Zhang for their stimulating discussions. This work was supported in part by NM-DST, GoI, in part by DOE BES under Grant DE-FG02-04ER46152, and in part by NCMN. Publisher Copyright: {\textcopyright} 1965-2012 IEEE.",

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AU - Pathak, Rohit

AU - Sellmyer, D. J.

AU - Skomski, Ralph

N1 - Funding Information: The authors would like to thank Y. Idzerda, L. H. Lewis, P. Manchanda, and W. Zhang for their stimulating discussions. This work was supported in part by NM-DST, GoI, in part by DOE BES under Grant DE-FG02-04ER46152, and in part by NCMN. Publisher Copyright: © 1965-2012 IEEE.

PY - 2018/11

Y1 - 2018/11

N2 - The realization of the magnetic moment of Mn atoms in ferromagnetic alloys is investigated theoretically. This paper is partly motivated by the recent discovery of high-magnetization Fe-Co-Mn thin films by Snow et al., who reported moments of up to 3.25 μB per atom. Structural and strain effects are discussed with particular emphasis on the distinction between tetragonal martensitic lattice distortions and Bain transitions in body-centered cubic, CsCl, and Heusler alloys. It is outlined how these lattice distortions affect the electronic structure of the alloys, and ab initio calculations are used to determine the net moment of cubic Fe6Co63Mn31. The calculated moment, 2.90 μB per atom, is reasonably close to the experimental value.

AB - The realization of the magnetic moment of Mn atoms in ferromagnetic alloys is investigated theoretically. This paper is partly motivated by the recent discovery of high-magnetization Fe-Co-Mn thin films by Snow et al., who reported moments of up to 3.25 μB per atom. Structural and strain effects are discussed with particular emphasis on the distinction between tetragonal martensitic lattice distortions and Bain transitions in body-centered cubic, CsCl, and Heusler alloys. It is outlined how these lattice distortions affect the electronic structure of the alloys, and ab initio calculations are used to determine the net moment of cubic Fe6Co63Mn31. The calculated moment, 2.90 μB per atom, is reasonably close to the experimental value.

KW - Density functional theory (DFT)

KW - Mn-based magnets

KW - Permanent magnets

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DO - 10.1109/TMAG.2018.2848587

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JF - IEEE Transactions on Magnetics

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ER -

Theory of mn-based high-magnetization alloys

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Keywords

ASJC Scopus subject areas

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