TY - JOUR
T1 - Oscillatory surface relaxations in Ni, Al, and their ordered alloys
AU - Chen, S. P.
AU - Voter, A. F.
AU - Srolovitz, D. J.
PY - 1986/9/15
Y1 - 1986/9/15
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevLett.57.1308
DO - 10.1103/PhysRevLett.57.1308
M3 - RGC 21 - Publication in refereed journal
SN - 0031-9007
VL - 57
SP - 1308
EP - 1311
JO - Physical Review Letters
JF - Physical Review Letters
IS - 11
ER -