Theory of the nucleation, growth, and structure of hydrogen-induced extended defects in silicon

Implantation and plasma indiffusion of H in crystalline Si are known to induce planar defects (platelets) whose structure has remained elusive. We report extensive first-principles calculations that reveal mechanisms for the nucleation and growth of aggregates of second-neighbor hydrogenated vacancies. These defects exhibit the key features associated with platelets, including a preference for (111) and (100) planes, H release, and trapping of H₂ molecules.