Atom-by-Atom and Concerted Hopping of Adatom Pairs on an Open Metal Surface
Journal Article
·
· Physical Review Letters
OSTI ID:10352
Atom-by-atom and concerted hopping of ad-dimers on the open (100) surface of fcc metals are studied by means of density-functional calculations. The adatom interaction is relatively short-ranged, and beyond next-nearest neighbors ad-dimers are effectively dissociated. Diffusion takes place by a simple shearing process, favored because it maximizes adatom coordination at the transition state This holds for Al, Au, and Rh, and is likely a general result because geometrical arguments dominate over details of the electronic structure.
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sponsoring Organization:
- US Department of Energy (US)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 10352
- Report Number(s):
- SAND99-2194J; TRN: AH200125%%324
- Journal Information:
- Physical Review Letters, Other Information: Submitted to Physical Review Letters; PBD: 25 Aug 1999
- Country of Publication:
- United States
- Language:
- English
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