Transactions on Electrical and Electronic Materials

The Korean Institute of Electrical and Electronic Material Engineers (한국전기전자재료학회)
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Interaction of Di-Methylaluminum Groups with Hydroxyl Groups on a Fully Hydroxyl-Terminated Si (001) Surface

  • Kim, Dae-Hee (Department of Materials Engineering, Korea University of Technology and Education) ;
  • Kim, Dae-Hyun (Department of Materials Engineering, Korea University of Technology and Education) ;
  • Kim, Yeong-Cheol (Department of Materials Engineering, Korea University of Technology and Education) ;
  • Seo, Hwa-Il (School of Information Technology, Korea University of Technology and Education)
  • Published : 2010.02.28
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Abstract

The interaction of -$Al(CH_3)_2$ with -OH on a fully OH-terminated Si (001) surface was studied using density functional theory. Two sites for $Al(CH_3)_3$ to react with the -OH on the surface were identified. The $-Al(CH_3)_2$ product energetically favored the dimer-row site rather than the inter-row site because the Al atom of $-Al(CH_3)_2$ at the dimer-row site was attracted by the lone pair electrons of the O atom in the neighboring -OH. The energy barrier for the transfer of the $-Al(CH_3)_2$ between the two sites was 0.11 eV, and therefore, the $-Al(CH_3)_2$ at the inter-row site can easily transfer to the dimer-row site at room temperature.

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