It was shown that the self-diffusing species at high temperatures in both the C54 and C49 structures of TiSi2 were silicon atoms hopping through a first-nearest neighbour network. The kinetic parameters and the diffusion paths for Si diffusion via vacancies and interstitials were reported, pointing out that diffusion in the C49 structure by vacancies was strongly favoured, due to their very low formation energy.

Silicon Diffusion in Competitive TiSi2 Phases by Molecular Dynamics Simulations. Miglio, L., Iannuzzi, M., Raiteri, P., Celino, M.: Microelectronic Engineering, 2001, 55[1-4], 83-92