Vacancy-impurity complexes in highly Sb-doped Si grown by molecular beam epitaxy.

Positron annihilation measurements, supported by first-principles electron-structure calculations, identify vacancies and vacancy clusters decorated by 1-2 dopant impurities in highly Sb-doped Si. The concentration of vacancy defects increases with Sb doping and contributes significantly to the electrical compensation. Annealings at low temperatures of 400-500 K convert the defects to larger complexes where the open volume is neighbored by 2-3 Sb atoms. This behavior is attributed to the migration of vacancy-Sb pairs and demonstrates at atomic level the metastability of the material grown by epitaxy at low temperature.

Evidence for a new class of defects in highly n-doped Si: donor-pair-vacancy-interstitial complexes.

Electron channeling experiments performed on individually scanned, single columns of atoms show that in highly n-type Si grown at low temperatures the primary electrically deactivating defect cannot belong to either the widely accepted class of donor-vacancy clusters or a recently proposed class of donor pairs. First-principles calculations suggest a new class of defects consisting of two dopant donor atoms near a displaced Si atom, which forms a vacancy-interstitial pair. These complexes are consistent with the present experimental results, the measured open volume of the defects, the observed electrical activity as a function of dopant concentration, and the enhanced diffusion of impurities in the presence of deactivated dopants.

Atomic-scale imaging of individual dopant atoms and clusters in highly n-type bulk Si.

As silicon-based transistors in integrated circuits grow smaller, the concentration of charge carriers generated by the introduction of impurity dopant atoms must steadily increase. Current technology, however, is rapidly approaching the limit at which introducing additional dopant atoms ceases to generate additional charge carriers because the dopants form electrically inactive clusters. Using annular dark-field scanning transmission electron microscopy, we report the direct, atomic-resolution observation of individual antimony (Sb) dopant atoms in crystalline Si, and identify the Sb clusters responsible for the saturation of charge carriers. The size, structure, and distribution of these clusters are determined with a Sb-atom detection efficiency of almost 100%. Although single heavy atoms on surfaces or supporting films have been visualized previously, our technique permits the imaging of individual dopants and clusters as they exist within actual devices.

Quantitative TEM of point defects in Si

We review the use of transmission electron microscopy (TEM) to provide a quantitative measurement of both vacancy and interstitial clusters in ion-implanted silicon. Interstitials agglomerate into rod-like defects on 131I) planes, and the evaporation of these defects can be directly correlated to the diffusion enhancements observed during annealing of ion-damaged silicon. Vacancy clusters are easily detected in TEM once they have been labelled using a Au-diffusion technique. The combination of the two approaches provides a quantitative test for models of implantation and annealing in silicon. Detailed models for point defect behaviour, which include Ostwald-ripening and the surface recombination velocity, reproduce all of the crucial features of the observed defect annealing.