Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5366229 | Applied Surface Science | 2006 | 4 Pages |
Abstract
The energetics and the structural characteristics of atomistic behaviors for transition metal (TM; Fe, Co and Ni)-Al multiplayer systems were quantitatively investigated using ab initio calculations. The energy barriers for the surface diffusion of adatom were calculated to be 0.89, 1.01 and 1.98âeV for Fe, Co and Ni on Al (0â0â1) systems, respectively. For Al/TM (0â0â1) systems, however, the energy barriers turned out to be relatively smaller than those for the corresponding opposite systems. It could be verified that the incorporation process for TM/Al (0â0â1) system can be occurred much easier than that for the Al/TM (0â0â1) systems due to relatively small energy barriers and positive energy gains.
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Authors
Chiho Kim, Yong-Chae Chung,