Regensburg 2007 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 15: Poster:ThinFilms(1-33),Transp.(34-49),ExchBias(50-56),
Spindynamics(57-70),Micro-nanostr.Mat.(71-82),
Particles/Clust.(83-88), Mag.Imag./Surface(89-96),
Spinelectronics(97-109), Theory/Micromag.(110-116),
Spinstruct/Phasetr.(117-128),Magn.Mat.(129-139),
Aniso.+Measuring(140-145), MolMag.(146-152),
MSMA(153-156)
MA 15.133: Poster
Dienstag, 27. März 2007, 15:00–19:00, Poster A
Calculation of interface properties for Heusler compounds — •Andrey Beznogov and Peter Entel — Theoretische Tieftemperaturphysik, Universität Duisburg-Essen, Lotharstr. 1, 47048 Duisburg, Germany
Heusler compounds, such as Co2MnGe, are one of the most attractive half-metallic systems. Their bulk and surface properties are well understood. However, their implementation in devices based on giant and tunnel magnetoresistance effects means introduction of interfaces with other materials, which usually has a strong impact on their electronic and magnetic properties. The most important problem here is preservation of half-metallicity, which has a direct influence on unique transport properties of such systems, and is typically severely reduced by such structural changes.
Using ab initio density functional methods, we calculate the magnetic properties and the dependence of the half-metallicity from the interface structure for a layered system with Heusler contacts. Our main interest is the full Heusler compound Co2MnGe in combination with MgO. Choosing the (001) orientation for MgO, several configurations with different termination and site disorder have been investigated by using the Vienna Ab-initio Simulation Package (VASP), employing the projector augmented wave method (PAW) and the generalized gradient approximation (GGA) for the exchange correlation potential.
This work is supported by the Deutsche Forschungsgemeinschaft through SFB 491.