Thermally activated reorientation of di-interstitial defects in silicon
J. Kim, F. Kirchhoff, W. G. Aulbur, J. W. Wilkins, F. S. Khan, G. Kresse
Abstract
We propose a di-interstitial model for the P6 center commonly observed in ion implanted silicon. The di-interstitial structure and transition paths between different defect orientations can explain the thermally activated transition of the P6 center from low-temperature C1h to room-temperature D2d symmetry. The activation energy for the defect reorientation determined by ab initio calculations is 0.5 eV in agreement with the experiment. Our di-interstitial model establishes a link between point defects and extended defects, di-interstitials providing the nuclei for the growth.
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