info:eu-repo/semantics/article
Adhesion of metal on metal. The Pt on Co case
Fecha
2002-01Registro en:
Légaré, P.; Castellani, Norberto Jorge; Cabeza, Gabriela Fernanda; Adhesion of metal on metal. The Pt on Co case; Elsevier Science; Surface Science; 496; 3; 1-2002; 51-54
0039-6028
CONICET Digital
CONICET
Autor
Légaré, P.
Castellani, Norberto Jorge
Cabeza, Gabriela Fernanda
Resumen
The adhesion of Pt overlayers in pseudomorphic epitaxy on hcp Co(0 0 0 1) and fcc Co(1 0 0) was investigated with first-principles calculations. This was compared to the adhesion of the Pt surface layers on Pt(1 1 1) and Pt(1 0 0). We show that adhesion can be analyzed by taking into account the interplay between the chemical and structural properties at the interface. The free Pt planes with the bulk Pt-Pt distance are submitted to tensile stress which can be relaxed by 6.6% and 9.1% contraction for the (1 1 1) and (1 0 0) symmetries respectively. This results in equilibrium interatomic distances which are not far from that of the Co substrate. Consequently the stress energy in a pseudomorphic Pt monolayer on a Co substrate is lower than the stress energy of pure Pt(1 1 1) or Pt(1 0 0) surfaces. However, this is at the expense of the Pt chemical reactivity towards the Co substrate. This is in agreement with the general dependence between chemical reactivity and stress of a metal surface. © 2001 Elsevier Science B.V. All rights reserved.