Simulation of Vacancy Cluster Formation and Binding Energies in Single Crystal Germanium

Abstract

AbstractResults are presented of the simulation of the properties of vacancy clusters in single crystal germanium. Classical molecular dynamics calculations based on a Stillinger and Weber potential were used in a theoretical investigation of different growth patterns of vacancy clusters Vi. The formation and binding energies of vacancy clusters have been studied in the range 1 ≤ i ≤ 35. The energetically favourable growth mode and an estimate of the effective surface energy was determined for a vacancy clusters containing up to 35 vacancies