RT info:eu-repo/semantics/article
T1 {001} loops in silicon unraveled
A1 Marqués Cuesta, Luis Alberto
A1 Aboy Cebrián, María
A1 Ruiz Prieto, Manuel
A1 Santos Tejido, Iván
A1 López Martín, Pedro
A1 Pelaz Montes, María Lourdes
K1 Silicio
K1 Dinámica molecular
K1 Tratamiento láser
K1 Silicon
K1 Molecular dynamics
K1 Laser treatment
AB By using classical molecular dynamics simulations and a novel technique to identify defects based on the calculation of atomic strain, we have elucidated the detailed mechanisms leading to the anomalous generation and growth of {001} loops found after ultra-fast laser annealing of ion-implanted Si. We show that the building block of the {001} loops is the very stable Arai tetra-interstitial [N. Arai, S. Takeda, M. Kohyama, Phys. Rev. Lett. 78, 4265 (1997)], but their growth is kinetically prevented within conventional Ostwald ripening mechanisms under standard processing conditions. However, our simulations predict that at temperatures close to the Si melting point, Arai tetra-interstitials directly nucleate at the boundaries of fast diffusing self-interstitial agglomerates, which merge by a coalescence mechanism reaching large sizes in the nanosecond timescale. We demonstrate that the crystallization of such agglomerates into {001} loops and their subsequent growth is mediated by the tensile and compressive strain fields that develop concurrently around the loops. We also show that further annealing produces the unfaulting of {001} loops into perfect dislocations. Besides, from the simulations we have fully characterized the {001} loops, determining their atomic structure, interstitial density and formation energy.
PB Elsevier
YR 2019
FD 2019
LK http://uvadoc.uva.es/handle/10324/33729
UL http://uvadoc.uva.es/handle/10324/33729
LA eng
NO Acta Materialia, 2019,  Volume 166, Pages 192-201
NO Producción Científica
DS UVaDOC
RD 28-abr-2024