Oscillatory surface relaxations in Ni, Al, and their ordered alloys

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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Author(s)

Detail(s)

Original languageEnglish
Pages (from-to)1308-1311
Journal / PublicationPhysical Review Letters
Volume57
Issue number11
Publication statusPublished - 15 Sept 1986
Externally publishedYes

Abstract

Results from simulations of Ni, Al, Ni3Al, 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 Ni3Al and NiAl, the surface planes are rippled, with the Ni-Ni and Al-Al interlayer spacings oscillating 180°out of phase. Very good agreement between our results and experimentally measured atomic relaxations is obtained.

Citation Format(s)

Oscillatory surface relaxations in Ni, Al, and their ordered alloys. / Chen, S. P.; Voter, A. F.; Srolovitz, D. J.
In: Physical Review Letters, Vol. 57, No. 11, 15.09.1986, p. 1308-1311.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review