Single impurity effect on the melting of nanoclusters.
We show by molecular dynamics simulations that the melting temperature of clusters can be tuned by selective doping. In fact, a single Ni or Cu impurity in Ag icosahedral clusters considerably increases the melting temperature even for sizes of more than a hundred atoms. The upward shift is correlated to the strain relaxation induced by a small central impurity in icosahedral clusters.
Mottet
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CRMCN/CNRS, Campus de Luminy, Case 913, 13288 Marseille Cedex 9, France.
Rossi
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Baletto
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Ferrando
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