RT info:eu-repo/semantics/article T1 Molecular dynamics simulation of the early stages of self-interstitial clustering in silicon A1 Marqués Cuesta, Luis Alberto A1 Santos Tejido, Iván A1 Pelaz Montes, María Lourdes A1 López Martín, Pedro A1 Aboy Cebrián, María K1 Atomistic simulation K1 Molecular dynamics K1 Dinámica molecular AB We have studied the early stages of self-interstitial clustering in silicon using molecular dynamics simulation techniques. We have generated silicon samples of over 200,000 atoms where we introduced a 0.5% extra concentration of self-interstitials. Then samples were annealed at several temperatures. During the simulations we observed the formation of interstitial clusters with different atomic structures, ranging from spherical and amorphous-like clusters, to highly ordered extended configurations such as (110) chains, {111} rod-like defects and dislocation loops, and {100} planar defects. This last type of defects, while common in germanium, have not been observed in silicon until very recently, in ultra-fast laser annealing experiments. The particular morphology of formed interstitial clusters is found to be related to the annealing temperature, as it is observed in the experiments. From the molecular dynamics simulations we have analyzed the atomic mechanisms leading to the formation and growth of interstitial clusters, with special attention to the newly found {100} planar defects PB Elsevier YR 2016 FD 2016 LK http://uvadoc.uva.es/handle/10324/28014 UL http://uvadoc.uva.es/handle/10324/28014 LA eng NO Materials Science in Semiconductor Processing Volume 42, Part 2, 2016, Pages 235-238 NO Producción Científica DS UVaDOC RD 28-dic-2024