We show that nanoparticles can have very rich ground-state chemical order. This is illustrated by determining the chemical ordering of Ag-Au 309-atom Mackay icosahedral nanoparticles.
This is illustrated by determining the chemical ordering of Ag-Au 309-atom Mackay icosahedral nanoparticles. The energy of the nanoparticles is described using a cluster expansion model, and a mixed integer programming approach is used to find the exact ground-state configurations for all stoichiometries. The chemical ordering varies widely between the different stoichiometries and displays a rich zoo of structures with nontrivial ordering.
Peter Mahler Larsen, Karsten Wedel Jacobsen, and Jakob Schiøtz
Physical review letters
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