Dresden 2014 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 18: Poster Session

MM 18.15: Poster

Montag, 31. März 2014, 18:00–20:00, P4

Molecular Dynamic Simulation of atomic deposition between MnAs cluster — •Andreas Rühl and Christian Heiliger — I. Physikalisches Institut, Justus Liebig Universtität Giessen, D-35392 Giessen, Germany

MnAs is a promising ferromagnetic material for magnetoelectronic devices, in particular as nano-scaled clusters, providing a great tunability concerning the shape and position. We investigate hexagonal MnAs clusters separated by a metal. For doing a simulation of this problem we developed an effective potential for MnAs by means of the Force Matching Method. The resulting potential, fitted to ab initio data, describes the substrate of our deposition simulation. The interaction between substrate atoms and the deposition atoms (here gold) is also done in the scope of Force Matching. Both interaction potentials are based on the Embedding Atom Method, which turned out to be a suitable model for the materials at hand as we prove with some validation tests.