Interactions between tri-methylaluminum molecules and their effect on the reaction of tri-methylaluminum with an OH-terminated Si (0 0 1) surface |
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| Authors: | Dae-Hee KimSeung-Bin Baek Hwa-Il SeoYeong-Cheol Kim |
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| Affiliation: | a Department of Materials Engineering, Korea University of Technology and Education, 1800 Chungjeollo, Byeongcheon-myeon Cheonan, 330-708, Republic of Korea
b School of Information Technology, Korea University of Technology and Education, 1800 Chungjeollo, Byeongcheon-myeon Cheonan, 330-708, Republic of Korea |
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| Abstract: | We studied the interaction between tri-methylaluminum (Al(CH3)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(CH3)2, DMA) group, and further reaction to a uni-methylaluminum (-AlCH3, 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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| Keywords: | ALD Al2O3 Tri-methylaluminum Density functional theory |
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