RT info:eu-repo/semantics/conferenceObject T1 Evaluation of energy barriers for topological transitions of Si self-interstitial clusters by classical molecular dynamics and the kinetic activation-relaxation technique A1 López Martín, Pedro A1 Santos Tejido, Iván A1 Aboy Cebrián, María A1 Marqués Cuesta, Luis Alberto A1 Trochet, M. A1 Mousseau, N. A1 Pelaz Montes, María Lourdes K1 Silicio K1 Dinámica molecular K1 Silicon K1 Molecular dynamics AB The modeling of self-interstitial defects evolution is key for process and device optimization. For a self-interstitial cluster of a given size, several configurations or topologies exist, but conventional models assume that the minimum energy one is instantaneously reached. The existence of significant energy barriers for configurational transitions may change the picture of defect evolution in non-equilibrium processes (such as ion implantation), and contribute to explain anomalous defect observations. In this work, we present a method to determine the energy barriers for topological transitions among small self-interstitial defects, which is applied to characterize the Si self-interstitial and the di-interstitial cluster. PB Institute of Electrical and Electronics Engineers (IEEE) SN 978-1-5090-5072-7 YR 2017 FD 2017 LK http://uvadoc.uva.es/handle/10324/32297 UL http://uvadoc.uva.es/handle/10324/32297 LA eng NO 2017 Spanish Conference on Electron Devices (CDE). Proceedings, 8-10 February 2017, Barcelona NO Producción Científica DS UVaDOC RD 23-dic-2024