Atomic rippling of a metallic ordered alloy surface–NiAl(110)

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Abstract
Results from a low-energy electron diffraction (LEED) analysis of the NiAl(110) surface are presented and discussed. Ordered NiAl has a truncated bulk (110) surface consisting of composite layers of Ni and Al sites which are exactly coplanar. However, the present LEED results demonstrate that the actual NiAl(110) surface has a large rippled relaxation, with the Al sites of the outermost composite layer being 0.22 Å above the Ni sites. The agreement achieved between the calculated and experimental I–V profiles, total R factor of 0.053, is of the same quality as that obtained in better LEED analyses of monatomic metallic surfaces, which indicates the evidence for the rippling is quite strong. Also, a qualitative plausibility argument is given to indicate that such rippling is to be expected in surfaces of ordered alloys.

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