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Interactions between tri-methylaluminum molecules and their effect on the reaction of tri-methylaluminum with an OH-terminated Si (0 0 1) surface

Authors
Journal
Applied Surface Science
0169-4332
Publisher
Elsevier
Publication Date
Volume
257
Issue
15
Identifiers
DOI: 10.1016/j.apsusc.2011.01.032
Keywords
  • Ald
  • Al2O3
  • Tri-Methylaluminum
  • Density Functional Theory

Abstract

Abstract We studied the interaction between tri-methylaluminum (Al(CH 3) 3, TMA) molecules and their effect on TMA reactions with a fully OH-terminated Si (0 0 1) surface for initial aluminum oxide thin-film growth using density functional theory. The reaction between an adsorbed TMA and the surface produced a di-methylaluminum (–Al(CH 3) 2, DMA) group, and further reaction to a uni-methylaluminum (–AlCH 3, UMA) group with energy barriers of 0.50 and 0.21 eV, respectively. A second TMA adsorbed near the already adsorbed TMA, DMA, or UMA group showed higher energy barriers (0.68–1.01 eV) for its reaction to produce a DMA group due to the interaction between them. Therefore, the fully OH-terminated Si (0 0 1) surface would be covered by the mixture of the adsorbed TMA and UMA groups at an intermediate surface temperature.

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