Abstract

Dislocation related photoluminescence in Si and SiGe is attributed to stable interstitial clusters bound to 60\ifmmode^\circ\else\textdegree\fi{} dislocations. Density functional based total energy calculations in Si give binding energies between 1.5 and 3.6 eV for ${I}_{3}$ and ${I}_{4}$ clusters with 90\ifmmode^\circ\else\textdegree\fi{} and 30\ifmmode^\circ\else\textdegree\fi{} partials. They possess donor levels around ${E}_{v}+0.4\mathrm{eV}$ which are consistent with deep level transient spectroscopic studies on $p$-Si. It is further suggested that the clusters would act as the obstacles to the movement of dislocations which may have been observed in recent transmission electron microscopy studies.

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