RT info:eu-repo/semantics/article T1 Elucidating the atomistic mechanisms driving self-diffusion of amorphous Si during annealing A1 Santos Tejido, Iván A1 Pelaz Montes, María Lourdes A1 Marqués Cuesta, Luis Alberto A1 Colombo, Luciano K1 Silicio cristalino K1 Crystalline silicon AB We have analyzed the atomic rearrangements underlying self-diffusion in amorphous Si during annealing using tight-binding molecular dynamics simulations. Two types of amorphous samples with different structural features were used to analyze the influence of coordination defects. We have identified several types of atomic rearrangement mechanisms, and we have obtained an effective migration energy of around 1 eV. We found similar migration energies for both types of samples, but higher diffusivities in the one with a higher initial percentage of coordination defects. PB American Physical Society SN 2469-9950 YR 2011 FD 2011 LK http://uvadoc.uva.es/handle/10324/31963 UL http://uvadoc.uva.es/handle/10324/31963 LA eng NO Physical Review B, 2011, 83, 153201 NO Producción Científica DS UVaDOC RD 06-oct-2024