A structural study of [formula omitted] surface alloys

Abstract

The structures formed by one-half and one monolayer (ML) of Pd evaporated onto Cu(100) at 300 K were studied by low energy electron diffraction (LEED), medium energy ion scattering (MEIS), thermal desorption spectroscopy (TDS), and embedded atom method (EAM) calculations. In the half monolayer case, the LEED I( E) curves are consistent with the established c(2 × 2) surface alloy model. The MEIS data, however, suggest that a fraction of the Pd ( ∼ 1 4 ) is in “second layer” sites, in agreement with previous LEIS, TDS and XPS forward scattering measurements. The EAM simulations support the formation of alloy islands, providing a mechanism for the covering of some Pd atoms. As the deposition proceeds, however, this island formation is indicated to occur preferentially over clean copper. In the one monolayer case, a p(2 × 2)-p4g LEED pattern is observed. Analysis of the I( E) curves suggests that this arises from (100) Pd packed above the c(2 × 2) alloy. EAM calculations confirm the stability of this model. Evidence from MEIS and TDS, however, shows that the one monolayer surface as prepared in this work is inhomogeneous. c(2 × 2) and Cu rich surface domains exist in addition to those having the p4g Pd c(2 × 2) PdCu structure.