Hydrogen diffusion and segregation during solid phase epitaxial regrowth of preamorphized Si

The redistribution of hydrogen during solid phase epitaxial regrowth (SPER) of preamorphized silicon has been experimentally investigated, modeled, and simulated for different H concentrations and temperatures. H was introduced by H implantation and/or infiltration from the sample surface during partial thermal anneals in air in the 520-620 °C temperature range. We characterized the time evolution of the H redistribution by secondary ion mass spectrometry and time resolved reflectivity. The good agreement between all experimental data and the simulations by means of full rate equation numerical calculations allows the quantitative assessment of all the phenomena involved: in-diffusion from annealing atmosphere and the H effect on the SPER rate. We describe the temperature dependence of microscopic segregation of H at the amorphous/crystal (a-c) interface. Only a fraction of H atoms pushed by the a-c interface can be incorporated into the crystal bulk. We propose an energetic scheme of H redistribution in amorphous Si. The segregation of H at the a-c interface is also considered for (110) and (111) orientated substrates. Our description can also be applied to other material systems in which redistribution of impurities during a solid-solid phase transition occurs.