Stability of fcc (110) transition and noble metal surfaces

Citation
L. Vitos et al., Stability of fcc (110) transition and noble metal surfaces, COMP MAT SC, 17(2-4), 2000, pp. 156-159
Citations number
16
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
COMPUTATIONAL MATERIALS SCIENCE
ISSN journal
09270256 → ACNP
Volume
17
Issue
2-4
Year of publication
2000
Pages
156 - 159
Database
ISI
SICI code
0927-0256(200006)17:2-4<156:SOF(TA>2.0.ZU;2-P
Abstract
We have used density functional theory in conjunction with the full charge density linear muffin-tin orbitals method and a cluster expansion based on interatomic pair potentials to derive the energetics of vicinal surfaces on transition and noble metals, and we apply the results in a study of the st ability of the fee (1 1 0) facet of these metals against the formation of ' rippled' surfaces consisting of vicinal facets with Miller indices (2 lambd a + 1, 2 lambda, + 1,1) and (2 lambda + 1, 2 lambda + 1, (1) over bar). (C) 2000 Elsevier Science B.V. All rights reserved.