An elastic energy approach to the interstitial diffusion of 3<i>d</i> elements in silicon

Abstract

Evidence is presented that the elastic energy contribution to the migration enthalpies of interstitially dissolved 3d atoms in silicon cannot be neglected. The difference in elastic energy at the tetrahedral interstitial and the hexagonal interstitial site has been estimated in a hard-sphere model. The preexponential factor of diffusion D0 is evaluated within the framework of Zener’s D0 theory [C. Zener, in Imperfections in Nearly Perfect Crystals, edited by W. Shockley (Wiley, New York, 1952), p. 289]. Both migration enthalpy and preexponential factor, have been found to be in reasonable agreement with experimental findings.