Regensburg 2007 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 6: Magnetic Particles/Clusters II

MA 6.3: Vortrag

Montag, 26. März 2007, 15:45–16:00, H10

Structural stability of multiply twinned FePt nanoparticles — •Michael Müller and Karsten Albe — TU Darmstadt, Institut für Materialwissenschaft, FG Materialmodellierung, Petersenstr. 23, D-64287 Darmstadt

The structural stability of FePt nanoparticles in multiply twinned and single crystalline morphologies is investigated by means of molecular statics calculations based on a recently developed analytic bond-order potential. The results obtained from the atomistic calculations are used for validating a continuum model which allows to assess the contributions of elastic strain, surface and and twin boundary energies, separately. The static model calculations predict a strong energetic preference for single crystalline morphologies in the ordered L1_0 and disordered A1 phases, if the particle size exceeds 2.6 nm, while smaller particles tend to form icosahedral structures. Based on these results, experimentally observed shapes of FePt nanoparticles are discussed.