MULTILAYER RELAXATION AND SURFACE-STRUCTURE OF ORDERED ALLOYS

[摘要] Using BFS, a new semiempirical method for alloys, we study the surface structure of fcc ordered binary alloys in the L1(2) structure (Ni3Al and Cu3Au). We show that the surface energy is lowest for the mixed-composition truncation of the low-index faces of such systems. Also, we present results for the interlayer relaxations for planes close to the surface, revealing different relaxations for atoms of different species producing a rippled surface layer.

[发布日期] 1994-04-20

[效力级别]  Proceedings Paper