R. Drautz et al., Spontaneous L1(2) order at Ni90Al10(110) surfaces: An X-ray and first-principles-calculation study - art. no. 236102, PHYS REV L, 8723(23), 2001, pp. 6102
We have combined x-ray diffraction studies with first-principles calculatio
ns to study the interplay between segregation and ordering at the (110) sur
face of Ni90Al10. We find a L1(2)-ordered monolayer at the surface. The obs
erved ordering as well as recently reported Al segregation at the surface a
re explained in a consistent picture. A delicate competition between the te
ndency for Al segregation and ordering in the Ni-Al system induced by the s
ymmetry break at the surface stabilizes a long-range ordered surface in the
entire concentration range c(Ni) > 0.75,