Alloying and structural rearrangements in Fe-Au, Co-Au and Ni-Au core- shell nanoparticles
Martin Schnedlitz
Institute of Experimental Physics, TU Graz
10:45 - 11:15 Tuesday 04 February 2020 P2

Bimetallic nanoparticles formed by a combination of magnetic and noble metals have recently received increased attention as the combination of inter-metallic interactions and surface size effects can trigger unexpected physical behaviour and new phenomena. Understanding the features of structural stability and metastability in local energetic minima within this novel class of materials would provide us with new possibilities in material design.

We present molecular dynamics simulations and static basin hopping calculations which are supported by transmission electron microscopy studies of 5 nm Fe-, Co- and Ni-Au core-shell particles upon heating. Using superfluid helium nanodroplets for their synthesis we provide a fully inert environment for the growth of mixed-metallic core-shell particles. The nanoparticles and their structural rearrangements are monitored through a heating cycle from room temperature up to 1300 K. We discuss the impact of surface mobility on structural rearrangements as well as the impact of oxidation.