Abstract:Iron as a well-known magnetic materials and application of catalytic materials, iron clusters have been studied for many years, in the experimental and theoretical lead with high thermal conductivity, chemical inertness and high boiling point and other excellent properties, and of the most widely used in China as the main material of lead-acid batteries, lead clusters theory research also has been a hot spot.With the development of computer running speed and computer simulation technology, the research on its structure and electronic properties by density functional theory is increasing day by day.In order to study the lead alloy clusters internal structure, proved the mechanism of interaction between lead and iron, further improve the stability of the lead alloy clusters, this paper reviews the application of density functional theory at home and abroad in recent years the rightness lead the research status of iron clusters, cluster at the same time focus on lead and iron sheet radicals, recent research progress of aims to lead for the study of ferroalloy clusters provide theoretical basis for the interaction between behavior.