Disordered small defect clusters in silicon

Abstract

The ionizing radiation induced disordered defect clusters and their relaxation in silicon were simulated by the density functional method. It was found that a non-relaxed disordered cluster gives rise to a great number of localized states having their energy levels within the semiconductor forbidden band gap. After the relaxation, however, the density of these states significantly decreases leaving only several relatively shallow donor and acceptor state levels that may contribute to trapping of free carriers and shrinkage of an effective band gap.