The Effective Medium Approach to the Energetics of Metallic Compounds
In this paper we discuss the use of the effective medium approach, an embedded atom method (EAM), to study the cohesion in, and structures of, intermetallic compounds. We show that the method includes important contributions to the cohesion of many such compounds, resulting from the proximity of different types of atoms, that are neglected in simple pair potentials. We also show that important contributions exist of the form calculated from pseudopotential pair potentials. We argue that these contributions are neglected in currently existing EAM schemes, but could be included in an improved effective medium model.
KeywordsLocal Density Approximation Transition Metal Atom Embed Atom Method Embed Atom Method Effective Medium Model
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