Preprint article · Journal article
Rich Ground State Chemical Ordering in Nanoparticles: Exact Solution of a Model for Ag-Au Clusters
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. The energy of the nanoparticles is described using a cluster expansion model, and a Mixed Integer Programming (MIP) approach is used to find the exact ground state configurations for all stoichiometries.
The chemical ordering varies widely between the different stoichiometries, and display a rich zoo of structures with non-trivial ordering.
Language: | English |
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Year: | 2018 |
Pages: | 256101 |
ISSN: | 10797114 and 00319007 |
Types: | Preprint article and Journal article |
DOI: | 10.1103/PhysRevLett.120.256101 |
ORCIDs: | Larsen, Peter Mahler , Jacobsen, Karsten Wedel and Schiøtz, Jakob |