Migration of species in a prototype diffusion barrier: Cu, O, and H in TiN

Tsetseris, L.; Logothetidis, S.; Pantelides, S. T.
April 2009
Applied Physics Letters;4/20/2009, Vol. 94 Issue 16, p161903
Academic Journal
Experimental data on the migration of Cu impurities in TiN and in similar diffusion-barriers used in electronic devices have led to conflicting suggestions about the underlying physical mechanisms. Here we use results of first-principles calculations, which are in agreement with measured activations energies, to elucidate the atomic-scale processes of moderate and rapid diffusion of Cu through the bulk and intergrain voids of TiN films, respectively. We also find that O and H impurities are fast diffusers in TiN. The results offer an assessment for the efficiency of TiN diffusion-barriers with respect to properties, such as nature of impurities, stoichiometry, and crystallinity.


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