Complex impurity dynamics in silicon

Abstract

We review results of recent first-principles calculations that have led to comprehensive descriptions of a wide range of dynamical properties of impurities in Si. In particular we review the dynamics of clustering and declustering of As impurities in heavily-doped crystalline Si, the segregation of As impurities in the form of ordered chains in grain boundaries, and the very complex though seemingly simple migration of oxygen impurities in Si.