J. C. F. R. and, A. Teplyakov
Mar 8, 2007
Citations
1
Influential Citations
40
Citations
Journal
Journal of Physical Chemistry C
Abstract
Tetrakis(dimethylamino)titanium (TDMAT) is one of the most prominent precursors for deposition of thin diffusion barrier films onto semiconductor substrates for microelectronic applications. Adsorption and dissociation of this compound on a Si(100)-2 × 1 surface is studied by a combination of density functional calculations and infrared spectroscopy. Our computational investigation suggests that initial interaction occurs through the nucleophilic attack of a surface silicon atom by the lone pair of nitrogen. This molecularly adsorbed state (where the N atom attached to the surface is tetra-coordinated) is found to be a local minimum, and further transformation leads to the dissociation through scission of either the N−Ti or the N−C bond. Dissociation of TDMAT is permitted kinetically if it occurs through the scission of the N−Ti bond, while scission of an N−C bond is kinetically hindered despite the thermodynamic stability of the structure produced. In view of its amine-like behavior upon adsorption, TDMA...