Abstract
Ab initio calculations within density functional theory have been performed for the Co2MnGe/GaAs junctions, focusing on the effect of the interface geometry on the relevant electronic and magnetic properties. Our calculations show that half-metallicity, present in bulk Co2MnGe, is lost when the Heusler compound is deposited on the semiconducting substrate, emphasizing the importance of interface effects in the design and efficiency of spin-injection processes. Our calculated local magnetic moments on the interface atoms show that the magnetic properties are not strongly affected by the presence of the interface, except for the Co-terminated case, where the Co atoms on the bridge site show a tendency towards magnetism quenching, similar to the Fe/GaAs junction.
| Original language | English |
|---|---|
| Pages (from-to) | 1697-1701 |
| Number of pages | 5 |
| Journal | Journal of Physics and Chemistry of Solids |
| Volume | 64 |
| Issue number | 9-10 |
| DOIs | |
| Publication status | Published - Sep 2003 |
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Keywords
- A. Semiconductors
- C. Ab initio calculations
- D. Magnetic properties
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
Cite this
First principles study of electronic and magnetic properties of Co 2MnGe/GaAs interfaces. / Picozzi, S.; Continenza, A.; Freeman, Arthur J.
In: Journal of Physics and Chemistry of Solids, Vol. 64, No. 9-10, 09.2003, p. 1697-1701.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - First principles study of electronic and magnetic properties of Co 2MnGe/GaAs interfaces
AU - Picozzi, S.
AU - Continenza, A.
AU - Freeman, Arthur J
PY - 2003/9
Y1 - 2003/9
N2 - Ab initio calculations within density functional theory have been performed for the Co2MnGe/GaAs junctions, focusing on the effect of the interface geometry on the relevant electronic and magnetic properties. Our calculations show that half-metallicity, present in bulk Co2MnGe, is lost when the Heusler compound is deposited on the semiconducting substrate, emphasizing the importance of interface effects in the design and efficiency of spin-injection processes. Our calculated local magnetic moments on the interface atoms show that the magnetic properties are not strongly affected by the presence of the interface, except for the Co-terminated case, where the Co atoms on the bridge site show a tendency towards magnetism quenching, similar to the Fe/GaAs junction.
AB - Ab initio calculations within density functional theory have been performed for the Co2MnGe/GaAs junctions, focusing on the effect of the interface geometry on the relevant electronic and magnetic properties. Our calculations show that half-metallicity, present in bulk Co2MnGe, is lost when the Heusler compound is deposited on the semiconducting substrate, emphasizing the importance of interface effects in the design and efficiency of spin-injection processes. Our calculated local magnetic moments on the interface atoms show that the magnetic properties are not strongly affected by the presence of the interface, except for the Co-terminated case, where the Co atoms on the bridge site show a tendency towards magnetism quenching, similar to the Fe/GaAs junction.
KW - A. Semiconductors
KW - C. Ab initio calculations
KW - D. Magnetic properties
UR - http://www.scopus.com/inward/record.url?scp=0041736537&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0041736537&partnerID=8YFLogxK
U2 - 10.1016/S0022-3697(03)00121-5
DO - 10.1016/S0022-3697(03)00121-5
M3 - Article
AN - SCOPUS:0041736537
VL - 64
SP - 1697
EP - 1701
JO - Journal of Physics and Chemistry of Solids
JF - Journal of Physics and Chemistry of Solids
SN - 0022-3697
IS - 9-10
ER -