Abstract
| Original language | English |
|---|---|
| Article number | 256101 |
| Journal | Physical Review Letters |
| Volume | 120 |
| Issue number | 25 |
| Number of pages | 5 |
| ISSN | 0031-9007 |
| DOIs | |
| Publication status | Published - 2018 |
Cite this
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Rich Ground State Chemical Ordering in Nanoparticles: Exact Solution of a Model for Ag-Au Clusters. / Larsen, Peter Mahler; Jacobsen, Karsten Wedel; Schiøtz, Jakob.
In: Physical Review Letters, Vol. 120, No. 25, 256101, 2018.Research output: Contribution to journal › Journal article › Research › peer-review
TY - JOUR
T1 - Rich Ground State Chemical Ordering in Nanoparticles: Exact Solution of a Model for Ag-Au Clusters
AU - Larsen, Peter Mahler
AU - Jacobsen, Karsten Wedel
AU - Schiøtz, Jakob
PY - 2018
Y1 - 2018
N2 - 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.
AB - 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.
U2 - 10.1103/PhysRevLett.120.256101
DO - 10.1103/PhysRevLett.120.256101
M3 - Journal article
VL - 120
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 25
M1 - 256101
ER -