Browse > Article
http://dx.doi.org/10.4313/TEEM.2010.11.1.011

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)
Publication Information
Transactions on Electrical and Electronic Materials / v.11, no.1, 2010 , pp. 11-14 More about this Journal
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
Tri-methylaluminum; Di-methylaluminum; Atomic layer deposition; Si surface;
Citations & Related Records
연도 인용수 순위
  • Reference
1 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].   DOI   ScienceOn
2 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].   DOI
3 D. J. C. Yates, G. W. Dembinski, W. R. Kroll, and J. J. Elliott, J.Phys. Chem. 73, 911 (1969) [DOI: 10.1021/ j100724a026].   DOI
4 A. L. Brazeau and S. T. Barry, Chem. Mater. 20, 7287 (2008) [DOI:10.1021/cm802195b].   DOI   ScienceOn
5 G. V. Anikeev, Y. K. Ezhovskii, and S. I. Koltsov, Inorg. Mater. 24,514 (1988).
6 K. Kukli, M. Ritala, M. Leskela, and J. Jokinen, J. Vac. Sci. Technol.A 15, 2214 (1997) [DOI: 10.1116/1.580536].   DOI   ScienceOn
7 R. Katamreddy, R. Inman, G. Jursich, A. Soulet, and C. Takoudis,J. Electrochem. Soc. 153, C701 (2006) [DOI: 10.1149/1.2239258].   DOI   ScienceOn
8 R. Huang and A. Kitai, J. Electron. Mater. 22, 215 (1993) [DOI:10.1007/BF02665029].   DOI
9 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].   DOI   ScienceOn
10 Y. Widjaja and C. B. Musgrave, Appl. Phys. Lett. 80, 3304 (2002)[DOI: 10.1063/1.1473237].   DOI   ScienceOn
11 A. Heyman and C. B. Musgrave, J. Phys. Chem. B 108, 5718(2004) [DOI: 10.1021/jp049762x].   DOI   ScienceOn
12 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].   DOI   ScienceOn
13 M. D. Halls and K. Raghavachari, J. Phys. Chem. B 108, 4058(2004) [DOI: 10.1021/jp0378079].   DOI   ScienceOn
14 M. K. Ghosh and C. H. Choi, Chem. Phys. Lett. 426, 365 (2006)[DOI: 10.1016/j.cplett.2006.05.126].   DOI   ScienceOn
15 D. Sheppard, R. Terrell, and G. Henkelman, J. Chem. Phys. 128,134106 (2008) [DOI: 10.1063/1.2841941].   DOI   ScienceOn
16 G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994) [DOI:10.1103/PhysRevB.49.14251].   DOI   ScienceOn
17 G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996) [DOI:10.1103/PhysRevB.54.11169].   DOI   ScienceOn
18 G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999) [DOI:10.1103/PhysRevB.59.1758].   DOI   ScienceOn
19 D. M. Wood and A. Zunger, J. Phys. A: Math. Gen. 18, 1343 (1985)[DOI: 10.1088/0305-4470/18/9/018].   DOI   ScienceOn
20 P. Pulay, Chem. Phys. Lett. 73, 393 (1980) [DOI: 10.1016/0009-2614(80)80396-4].   DOI   ScienceOn
21 K. Momma and F. Izumi, J. Appl. Crystallogr. 41, 653 (2008) [DOI:10.1107/S0021889808012016].   DOI   ScienceOn
22 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].   DOI   ScienceOn
23 G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996)[DOI: 10.1016/0927-0256(96)00008-0].   DOI   ScienceOn
24 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].   DOI   ScienceOn
25 S. M. George, A. W. Ott, and J. W. Klaus, J. Phys. Chem. 100, 13121(1996) [DOI: 10.1021/jp9536763].   DOI   ScienceOn
26 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].   DOI   ScienceOn
27 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].   DOI   ScienceOn