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Berlin 2008 – scientific programme

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MA: Fachverband Magnetismus

MA 15: Magnetic Thin Films I

MA 15.3: Talk

Tuesday, February 26, 2008, 11:00–11:15, H 1012

Ab initio investigation of the interface structure in Fe3Si/GaAs multilayers — •Heike C. Herper and Peter Entel — Fachbereich Physik, Universität Duisburg-Essen, 47048 Duisburg

The combination of ferromagnetic materials with semiconductors is of large interest in view of new microelectronic devices. One important point regarding such devices is the interface between the ferromagnet and the semiconductor which should be of good structural quality and high spin-polarization. In this connection, the Fe3Si/GaAs system is discussed as part of a semiconductor/ferromagnet hybrid structure.
Here, we investigate Fe3Si/GaAs multilayers grown in (001) and (110) direction with respect to their electronic and magnetic properties of the interface. In particular, the influence of the termination of the semiconductor surface is studied.
The calculations are done within the density functional theory employing the Vienna Ab-initio Simulation Package (VASP) by using the Projector Augmented Wave (PAW) method [1]. In order to investigate interdiffusion effects additional calculations are performed by using the Korringa-Kohn-Rostoker (KKR) method within the coherent potential approximation (CPA) [2].

[1] G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996)
[2] H. Akai, Code: Machikaneyama2002

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