Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1793782 | Journal of Crystal Growth | 2009 | 5 Pages |
Abstract
DFT calculations were employed to investigate transamination during metalorganic chemical vapor deposition (MOCVD) of transition metal nitrides films, such as titanium nitride (TiN) and tantalum nitride (TaN). The calculated energetics and rate constants for the ligand exchange of tert-butylimidotris(dimethylamido) tantalum (TBTDMT) with NH3 demonstrated that NH3 addition to form the ammonia adduct, TBTDMT·NH3, proton transfer and dissociation of dimethylamine to afford net transamination of the dimethylamido ligand are facile even at low temperature (â¼300 °C). The transamination of the tert-butylimido ligand, however, was relatively slow at those temperatures but became facile at temperatures appropriate for CVD growth (â¼600 °C). Rapid transamination is consistent with lower temperature for growth of TaN by MOCVD in the presence of NH3, efficient removal of carbon-containing ligands, and incorporation of higher levels of nitrogen in the resulting films.
Keywords
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Yong Sun Won, Sung Soo Park, Young Seok Kim, Timothy J. Anderson, Lisa McElwee-White,