After a brief review of the basic properties of TiSi2 phases recently obtained by molecular dynamics simulations, we show 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.

Miglio, L., Iannuzzi, M., Raiteri, P., Celino, M. (2001). Silicon diffusion in competitive TiSi2 phases by molecular dynamics simulations. In Materials for Advanced Metallization (pp.83-92). Elsevier [10.1016/S0167-9317(00)00432-9].

Silicon diffusion in competitive TiSi2 phases by molecular dynamics simulations

MIGLIO, LEONIDA;RAITERI, PAOLO;
2001

Abstract

After a brief review of the basic properties of TiSi2 phases recently obtained by molecular dynamics simulations, we show 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.
paper
TiSi2
English
4th European Workshop on Materials for Advanced Metallization
FEB 28-MAR 01, 2000
Materials for Advanced Metallization
2001
55
1-4
83
92
none
Miglio, L., Iannuzzi, M., Raiteri, P., Celino, M. (2001). Silicon diffusion in competitive TiSi2 phases by molecular dynamics simulations. In Materials for Advanced Metallization (pp.83-92). Elsevier [10.1016/S0167-9317(00)00432-9].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/44135
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