✦ LIBER ✦

Silicon diffusion in competitive TiSi2 phases by molecular dynamics simulations

✍ Scribed by Leo Miglio; Marcella Iannuzzi; Paolo Raiteri; Massimo Celino

Publisher: Elsevier Science
Year: 2001
Tongue: English
Weight: 378 KB
Volume: 55
Category: Article
ISSN: 0167-9317
DOI: 10.1016/s0167-9317(00)00432-9

No coin nor oath required. For personal study only.

✦ Synopsis

After a brief review of the basic properties of TiSi phases recently obtained by molecular dynamics simulations, we show 2 the self-diffusing species at high temperatures in both the C54 and C49 structures to be silicon, by hopping through a first neighbours network. The kinetic parameters and the diffusion paths for Si diffusion by vacancies and interstitials are reported, pointing out that diffusion in the C49 structure by SiI vacancies is strongly favoured, due to the very low formation energy they display.

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