Numerical Simulation of Pt overlayers on Ni (111) and Co(0001)

P. LEGARÉ; G.F. CABEZA; N.J. CASTELLANI

SURFACE REVIEW AND LETTERS

World Scientific Publishing Company

Lugar: Milwaukee; Año: 1998 vol. 5 p. 581 - 588

0218-625X

The growth of pseudomorphic Pt layers (from one to four) on Ni(111) and Co(0001) has been investigated by the ECT–BFS method. The behaviors on the two substrates are very similar. The growth of the first layer appears to be highly favorable as the energy of the system is negative. Higher coverages could be stabilized with huge relaxations perpendicularly to the surface. The evolution of the plane-by-plane energies (separated in stress and chemical contributions) and relaxations during the growth is presented and discussed. The always-stabilizing chemical interaction at the interface makes it likely that interdiffusion of metals could be a competing mechanism.