Metal-induced crystallization (MIC) has been investigated extensively as an alternative crystallization process in the silicon based photovoltaic industry. In this work, we simulate a nanoscale version of this process by using molecular dynamics simulation involving liquid Si nanoclusters inoculated with Ag atoms in Ar thermal bath. The simulations reveal that the energy released during coalescence of the silver silicide region is the main factor to remelt the surface of the Si nanocluster.
In an earlier report, Ag nanoparticles is observed to induced crystallization in 12-15 nm- diameter silicon cluster, which upon further cooling results in nano-polycrystalline silicon core and segregated Ag sub-shells. The work focuses on the crucial conditions that influence the MIC process, such as (i) number of Ag atoms per unit volume, (ii) initial temperature of Si cluster, (iii) crystallization temperature and (iv) cooling rate of the Si cluster. The results presented in this study provide insight into the effect of the first three parameters. Also, the results suggest that the coalescence of eutectic phase is the essential step which induces the crystallization.
