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

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

Access to Document

10.1016/j.jmmm.2004.01.026

Fingerprint Dive into the research topics of 'Role of Mn antisite defects on half-metallicity in Co<sub>2</sub>MnSi Heusler alloy'. Together they form a unique fingerprint.

Cite this

Picozzi, S., Continenza, A., & Freeman, A. J. (2004). Role of Mn antisite defects on half-metallicity in Co₂MnSi Heusler alloy. Journal of Magnetism and Magnetic Materials, 272-276(I), 315-316. https://doi.org/10.1016/j.jmmm.2004.01.026

@article{ce8b345e5e6a446fb28413bd1c528ce7,

title = "Role of Mn antisite defects on half-metallicity in Co2MnSi Heusler alloy",

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.",

keywords = "Defects, Half-metallicity, Heusler compounds, Spin injection",

author = "S. Picozzi and A. Continenza and Freeman, {A. J.}",

year = "2004",

month = may,

doi = "10.1016/j.jmmm.2004.01.026",

language = "English",

volume = "272-276",

pages = "315--316",

journal = "Journal of Magnetism and Magnetic Materials",

issn = "0304-8853",

publisher = "Elsevier",

number = "I",

}

TY - JOUR

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

UR - http://www.scopus.com/inward/record.url?scp=23044459142&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=23044459142&partnerID=8YFLogxK

U2 - 10.1016/j.jmmm.2004.01.026

DO - 10.1016/j.jmmm.2004.01.026

M3 - Article

AN - SCOPUS:23044459142

VL - 272-276

SP - 315

EP - 316

JO - Journal of Magnetism and Magnetic Materials

JF - Journal of Magnetism and Magnetic Materials

SN - 0304-8853

IS - I

ER -