Lattice relaxation in α-iron containing small xenon-vacancy clusters

Abstract

Binding energies and atomic configurations for small xenon-vacancy clusters in α-iron have been computed using a model based on a two-body potential between the interacting atoms. Various clusters were placed near the center of a sphere containing about 150 iron atoms initially at regular positions in bcc configuration. The results of these calculations are of importance for the interpretation of hyperfine interaction measurements on implanted radioactive sources.