Role of Mn antisite defects on half-metallicity in Co2MnSi Heusler alloy

S. Picozzi; A. Continenza; A. J. Freeman

doi:10.1016/j.jmmm.2004.01.026

Role of Mn antisite defects on half-metallicity in Co₂MnSi Heusler alloy

S. Picozzi, A. Continenza, A. J. Freeman

Northwestern University

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

5 Citations (Scopus)

Abstract

Accurate first-principles FLAPW calculations performed for Mn antisite defects in Co₂MnSi alloy show that (i) the low defect formation energy results in a high concentration of Mn antisites during growth, in excellent quantitative agreement with experiments and (ii) half-metallicity - typical of bulk Co₂MnSi - is kept, with the disorder resulting in a small increase of the spin-gap. These findings indicate that other kinds of defects or surface effects should be invoked in order to explain the observed reduced spin-polarization.

Original language	English
Pages (from-to)	315-316
Number of pages	2
Journal	Journal of Magnetism and Magnetic Materials
Volume	272-276
Issue number	I
DOIs	https://doi.org/10.1016/j.jmmm.2004.01.026
Publication status	Published - May 2004

Keywords

Defects
Half-metallicity
Heusler compounds
Spin injection

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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abstract = "Accurate first-principles FLAPW calculations performed for Mn antisite defects in Co2MnSi alloy show that (i) the low defect formation energy results in a high concentration of Mn antisites during growth, in excellent quantitative agreement with experiments and (ii) half-metallicity - typical of bulk Co2MnSi - is kept, with the disorder resulting in a small increase of the spin-gap. These findings indicate that other kinds of defects or surface effects should be invoked in order to explain the observed reduced spin-polarization.",

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T1 - Role of Mn antisite defects on half-metallicity in Co2MnSi Heusler alloy

AU - Picozzi, S.

AU - Continenza, A.

AU - Freeman, A. J.

PY - 2004/5

Y1 - 2004/5

N2 - Accurate first-principles FLAPW calculations performed for Mn antisite defects in Co2MnSi alloy show that (i) the low defect formation energy results in a high concentration of Mn antisites during growth, in excellent quantitative agreement with experiments and (ii) half-metallicity - typical of bulk Co2MnSi - is kept, with the disorder resulting in a small increase of the spin-gap. These findings indicate that other kinds of defects or surface effects should be invoked in order to explain the observed reduced spin-polarization.

AB - Accurate first-principles FLAPW calculations performed for Mn antisite defects in Co2MnSi alloy show that (i) the low defect formation energy results in a high concentration of Mn antisites during growth, in excellent quantitative agreement with experiments and (ii) half-metallicity - typical of bulk Co2MnSi - is kept, with the disorder resulting in a small increase of the spin-gap. These findings indicate that other kinds of defects or surface effects should be invoked in order to explain the observed reduced spin-polarization.

KW - Defects

KW - Half-metallicity

KW - Heusler compounds

KW - Spin injection

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DO - 10.1016/j.jmmm.2004.01.026

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VL - 272-276

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EP - 316

JO - Journal of Magnetism and Magnetic Materials

JF - Journal of Magnetism and Magnetic Materials

SN - 0304-8853

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