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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

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.

Keywords

References

  1. M. Ritala, K. Kukli, A. Rahtu, P. I. Raisanen, M. Leskela, T.Sajavaara, and J. Keinonen, Science 288, 319 (2000) [DOI:10.1126/science.288.5464.319].
  2. S. M. George, A. W. Ott, and J. W. Klaus, J. Phys. Chem. 100, 13121(1996) [DOI: 10.1021/jp9536763].
  3. P. D. Ye, G. D. Wilk, J. Kwo, B. Yang, H. J. L. Gossmann, M. Frei, S.N. G. Chu, J. P. Mannaerts, M. Sergent, M. Hong, K. K. Ng, and J.Bude, IEEE Electron Device Letters 24, 209 (2003) [DOI:10.1109/LED.2003.812144].
  4. T. M. Klein, D. Niu, W. S. Epling, W. Li, D. M. Maher, C. C. Hobbs,R. I. Hegde, I. J. R. Baumvol, and G. N. Parsons, Appl. Phys. Lett.75, 4001 (1999) [DOI: 10.1063/1.125519].
  5. L. Manchanda, M. D. Morris, M. L. Green, R. B. van Dover, F.Klemens, T. W. Sorsch, P. J. Silverman, G. Wilk, B. Busch, and S.Aravamudhan, Microelectron. Eng. 59, 351 (2001) [DOI:10.1016/s0167-9317(01)00668-2].
  6. K. Grigoras, L. Sainiemi, J. Tiilikainen, A. Saynatjoki, V. M.Airaksinen, and S. Franssila, J. Phys.: Conf. Ser. 61, 369 (2007)[DOI: 10.1088/1742-6596/61/1/074].
  7. M. Ritala, H. Saloniemi, M. Leskelä, T. Prohaska, G. Friedbacher,and M. Grasserbauer, Thin Solid Films 286, 54 (1996) [DOI:10.1016/s0040-6090(95)08524-6].
  8. D. J. C. Yates, G. W. Dembinski, W. R. Kroll, and J. J. Elliott, J.Phys. Chem. 73, 911 (1969) [DOI: 10.1021/ j100724a026].
  9. A. L. Brazeau and S. T. Barry, Chem. Mater. 20, 7287 (2008) [DOI:10.1021/cm802195b].
  10. G. V. Anikeev, Y. K. Ezhovskii, and S. I. Koltsov, Inorg. Mater. 24,514 (1988).
  11. K. Kukli, M. Ritala, M. Leskela, and J. Jokinen, J. Vac. Sci. Technol.A 15, 2214 (1997) [DOI: 10.1116/1.580536].
  12. R. Katamreddy, R. Inman, G. Jursich, A. Soulet, and C. Takoudis,J. Electrochem. Soc. 153, C701 (2006) [DOI: 10.1149/1.2239258].
  13. R. Huang and A. Kitai, J. Electron. Mater. 22, 215 (1993) [DOI:10.1007/BF02665029].
  14. L. Hiltunen, H. Kattelus, M. Leskela, M. Makela, L. Niinisto, E.Nykanen, P. Soininen, and M. Tiittad, Mater. Chem. Phys. 28, 379(1991) [DOI: Doi: 10.1016/0254-0584(91)90073-4].
  15. Y. Widjaja and C. B. Musgrave, Appl. Phys. Lett. 80, 3304 (2002)[DOI: 10.1063/1.1473237].
  16. A. Heyman and C. B. Musgrave, J. Phys. Chem. B 108, 5718(2004) [DOI: 10.1021/jp049762x].
  17. S. S. Lee, J. Y. Baik, K. S. An, Y. D. Suh, J. H. Oh, and Y. Kim, J. Phys. Chem. B 108, 15128 (2004) [DOI: 10.1021/jp048038b].
  18. M. D. Halls and K. Raghavachari, J. Phys. Chem. B 108, 4058(2004) [DOI: 10.1021/jp0378079].
  19. M. K. Ghosh and C. H. Choi, Chem. Phys. Lett. 426, 365 (2006)[DOI: 10.1016/j.cplett.2006.05.126].
  20. D. Sheppard, R. Terrell, and G. Henkelman, J. Chem. Phys. 128,134106 (2008) [DOI: 10.1063/1.2841941].
  21. G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994) [DOI:10.1103/PhysRevB.49.14251].
  22. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996)[DOI: 10.1016/0927-0256(96)00008-0].
  23. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996) [DOI:10.1103/PhysRevB.54.11169].
  24. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999) [DOI:10.1103/PhysRevB.59.1758].
  25. D. M. Wood and A. Zunger, J. Phys. A: Math. Gen. 18, 1343 (1985)[DOI: 10.1088/0305-4470/18/9/018].
  26. P. Pulay, Chem. Phys. Lett. 73, 393 (1980) [DOI: 10.1016/0009-2614(80)80396-4].
  27. K. Momma and F. Izumi, J. Appl. Crystallogr. 41, 653 (2008) [DOI:10.1107/S0021889808012016].

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