First principles study of electronic and magnetic properties of Co2MnGe/GaAs interfaces

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. Calculations show that half-metallicity, present in bulk Co2MnGe, is lost when the Heusler...

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Bibliographic Details
Published in:The Journal of physics and chemistry of solids 2003-09, Vol.64 (9-10), p.1697-1701
Main Authors: PICOZZI, S, CONTINENZA, A, FREEMAN, A. J
Format: Article
Language:English
Subjects:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Density functional theory, local density approximation
Electron states
Exact sciences and technology
Magnetic properties and materials
Magnetically ordered materials: other intrinsic properties
Physics
Saturation moments and magnetic susceptibilities
Theories and models of many electron systems
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Summary: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. 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. 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. 10 refs.
ISSN:0022-3697
1879-2553
DOI:10.1016/S0022-3697(03)00121-5