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Surface effects on structural and thermodynamic properties of Cu3Au nanoclusters

✍ Scribed by T. Van Hoof; Marc Hou

Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
102 KB
Volume
226
Category
Article
ISSN
0169-4332

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✍ Fang Wang; Jian-Min Zhang; Yan Zhang; Vincent Ji πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 367 KB

The surface relaxation and surface energy of both the mixed AuCu and pure Cu terminated Cu 3 Au (0 0 1) surfaces are simulated and calculated by using the modified analytical embedded-atom method. We find that the mixed AuCu termination is energetically preferred over the pure Cu termination thereby