Oscillatory surface relaxations in Ni, Al, and their ordered alloys
Journal Article
·
· Phys. Rev. Lett.; (United States)
Results from simulations of Ni, Al, Ni/sub 3/Al, and NiAl show long-range, oscillatory surface relaxations that decay exponentially into the bulk. Pure fcc Ni and Al have oscillation periods that are close to the nearest-neighbor distance, independent of crystal face. This is shown to be due to surface smoothing and steric effects. In Ni/sub 3/Al and NiAl, the surface planes are rippled, with the Ni-Ni and Al-Al interlayer spacings oscillating 180/sup 0/ out of phase. Very good agreement between our results and experimentally measured atomic relaxations is obtained.
- Research Organization:
- Los Alamos National Laboratory, Los Alamos, New Mexico 87545
- OSTI ID:
- 5230813
- Journal Information:
- Phys. Rev. Lett.; (United States), Vol. 57:11
- Country of Publication:
- United States
- Language:
- English
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