Diffusion of Pt dimers on Pt(111)

Details Diffusion of Pt dimers on Pt(111) Diffusion of Pt dimers on Pt(111)

1998-08-18

arxiv.org/abs/cond-mat/9808200v1

Physics

Condensed Matter

Materials Science

Pour pages postscript formatted, including one figure; submitted to Physical Review B; other papers of interest can be found a

Scientific paper

10.1103/PhysRevB.59.9846

We report the results of a density-functional study of the diffusion of Pt dimers on the (111) surface of Pt. The calculated activation energy of 0.37 eV is in {\em exact} agreement with the recent experiment of Kyuno {\em et al.} \protect{[}Surf. Sci. {\bf 397}, 191 (1998)\protect{]}. Our calculations establish that the dimers are mobile at temperatures of interest for adatom diffusion, and thus contribute to mass transport. They also indicate that the diffusion path for dimers consists of a sequence of one-atom and (concerted) two-atom jumps.

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