Density functional theory study on the full ALD process of silicon nitride thin film deposition via BDEAS or BTBAS and NH3
| Autor: | Ronald Martin Pearlstein, Mark Leonard O'neill, Bo Han, Agnes Derecskei-Kovacs, Liang Huang, Bing Han, Haripin Chandra, Manchao Xiao, Hansong Cheng, Xinjian Lei |
|---|---|
| Rok vydání: | 2014 |
| Předmět: |
Reaction mechanism
Materials science Inorganic chemistry General Physics and Astronomy chemistry.chemical_element Nitrogen Silane chemistry.chemical_compound chemistry Chemical engineering Silicon nitride Deposition (phase transition) Density functional theory Reactivity (chemistry) Physical and Theoretical Chemistry Thin film |
| Zdroj: | Physical Chemistry Chemical Physics. 16:18501 |
| ISSN: | 1463-9084 1463-9076 |
| DOI: | 10.1039/c4cp02741h |
| Popis: | A detailed reaction mechanism has been proposed for the full ALD cycle of Si3N4 deposition on the β-Si3N4(0001) surface using bis(diethylamino)silane (BDEAS) or bis(tertiarybutylamino)silane (BTBAS) as a Si precursor with NH3 acting as the nitrogen source. Potential energy landscapes were derived for all elementary steps in the proposed reaction network using a periodic slab surface model in the density functional approximation. Although the dissociative reactivity of BTBAS was slightly better than that of BDEAS, the thermal deposition process was still found to be an inherently high temperature process due to the high activation energies during the dissociative chemisorption of both precursors and the surface re-amination steps. These results underline the need to develop new precursors and alternative nitrogen sources when low temperature thermal silicon nitride films are targeted. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|