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.

Single impurity effect on the melting of nanoclusters / C. Mottet, G. Rossi, F. Baletto, R. Ferrando. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 95:3(2005), pp. 035501.1-035501.4. [10.1103/PhysRevLett.95.035501]

Single impurity effect on the melting of nanoclusters

F. Baletto;
2005

Abstract

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.
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/871335
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