The diffusion of one-dimensional clusters on Au and Pt(110) (1×2) is studied by molecular dynamics simulations. Both metals are modeled by many-body tight-binding potentials. The energy barriers for the elementary diffusion mechanism (concerted jump, leapfrog, dissociation, etc.) are calculated, for chains of up to six atoms, by the nudged elastic band method. The consistency of the results on energy barriers is checked by high-temperature simulations.
Diffusion of one-dimensional clusters on Au and Pt(110) (1×2) / F. Montalenti, F. Baletto, R. Ferrando. - In: SURFACE SCIENCE. - ISSN 0039-6028. - 454:1(2000), pp. 575-578. ((Intervento presentato al 18. convegno ECOSS tenutosi a Wien nel 1999 [10.1016/S0039-6028(00)00094-7].
Diffusion of one-dimensional clusters on Au and Pt(110) (1×2)
F. Baletto;
2000
Abstract
The diffusion of one-dimensional clusters on Au and Pt(110) (1×2) is studied by molecular dynamics simulations. Both metals are modeled by many-body tight-binding potentials. The energy barriers for the elementary diffusion mechanism (concerted jump, leapfrog, dissociation, etc.) are calculated, for chains of up to six atoms, by the nudged elastic band method. The consistency of the results on energy barriers is checked by high-temperature simulations.
| File | Dimensione | Formato | |
|---|---|---|---|
|
ss_454_575.pdf
accesso riservato
Tipologia:
Publisher's version/PDF
Dimensione
248.84 kB
Formato
Adobe PDF
|
248.84 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
