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 | |
| Publication status | Published - May 2004 |
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Keywords
- Defects
- Half-metallicity
- Heusler compounds
- Spin injection
ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Role of Mn antisite defects on half-metallicity in Co2MnSi Heusler alloy. / Picozzi, S.; Continenza, A.; Freeman, Arthur J.
In: Journal of Magnetism and Magnetic Materials, Vol. 272-276, No. I, 05.2004, p. 315-316.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Role of Mn antisite defects on half-metallicity in Co2MnSi Heusler alloy
AU - Picozzi, S.
AU - Continenza, A.
AU - Freeman, Arthur 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 -