Semi-empirical analysis of surface alloy formation

[摘要] The BFS method for alloys is applied to the study of surface alloy formation. This method was previously used to examine the experimental STM observation of surface alloying of Au on Ni(110) for low Au coverages by means of a numerical simulation. In this work, we extend the study to include other cases of surface alloying for immiscible as well as miscible metals. All binary combinations of Ni, Au, Cu and Al are considered and the simulation results are compared to experiment when data is available. The driving mechanisms of surface alloy formation are then discussed in terms of the BFS method and the available results.

[发布日期] 1996-05-15

[效力级别]  Proceedings Paper

[关键词] alloys;aluminum;compound formation;computer simulations;copper;gold;low index single crystal surfaces;nickel;semi-empirical models and model calculations