MULTILAYER RELAXATION AND SURFACE-STRUCTURE OF ORDERED ALLOYS

Authors
KOBISTEK RJ BOZZOLO G FERRANTE J SCHLOSSER H
Citation
Rj. Kobistek et al., MULTILAYER RELAXATION AND SURFACE-STRUCTURE OF ORDERED ALLOYS, Surface science, 309, 1994, pp. 390-395
Citations number
31
Categorie Soggetti
Chemistry Physical
Journal title
Surface science → ACNP
ISSN journal
00396028
Volume
309
Year of publication
1994
Part
A
Pages
390 - 395
Database
ISI
SICI code
0039-6028(1994)309:<390:MRASOO>2.0.ZU;2-0
Abstract
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-co mposition 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 speci es producing a rippled surface layer.