Modified embedded atom method calculations of interfaces

摘要

The Embedded Atom Method (EAM) is a semi-empirical calculational method developed a decade ago to calculate the properties of metallic systems. By including many-body effects, this method has proven to be quite accurate in predicting bulk and surface properties of metals and alloys. Recent modifications have extended this applicability to a large number of elements in the periodic table. This manuscript will briefly review the MEAM and its application to the binary systems. Two specific examples of interface behavior will be highlighted to show the wide applicability of the method. In the first example, a thin overlayer of nickel on silicon will be studied. In the second example, the system aluminum on sapphire will be examined.