Computational Study of the Adsorption Step of Aluminum Chloride Gas in the Atomic Layer Deposition Process of Aluminum Oxide Thin Film
Abstract
This research purpose is to study the adsorption model of aluminum chloride gas on the silicon surface using hydroxylated silicon as the adsorption site in the adsorption step of atomic layer deposition (ALD) at low temperature. The characteristic of surface adsorption is calculated by Gaussian 09 package to utilize as the database in designing adsorption step in the ALD process. AlCl3 is used as the aluminium source and Si(100) is a substrate. Base on the Gaussian calculation, it is found AlCH3 possible to adsorb on the surface using -OH adsorption site as the Si9H12O2AlCl structure at room temperature. Besides, this paper reports the adsorption characteristic and the vibrational frequency of aluminium and chlorine atom in the infrared region as well. Keywords: adsorption model, AlCl3, Silicon, Gaussian, atomic layer depositionReferences
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Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G.A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H.P., Izmaylov, A.F., Bloino, J., Zheng, G., Sonnenberg, J.L., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Montgomery, J.A., Peralta, Jr., J. E., Ogliaro, F., Bearpark, M., Heyd, J.J., Brothers, E., Kudin, K.N., Staroverov, V. N., Keith, T., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A., Burant, J.C., Iyengar, S.S., Tomasi, J., Cossi, M., Rega, N., Millam, J.M., Klene, M., Knox, J.E., Cross, J.B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Martin, R.L., Morokuma, K., Zakrzewski, V.G., Voth, G.A., Salvador, P., Dannenberg, J.J., Dapprich, S., Daniels, A.D., Farkas, O., Foresman, J.B., Ortiz, J.V., Cioslowski, J., and Fox, D.J. (2010). Gaussian 09, Inc., Wallingford CT, Revision B.01.
George, S. M. (2010). Atomic Layer Deposition: An Overview. Chemical Reviews, 110 (1), 111-131.
Hanwell, M.D., Curtis, D., Lonie, D.C., Vandermeersch, T., Zurek, E., Hutchison, G.R. (2012). Avogadro: an advanced semantic chemical editor, visualization, and analysis platform. Journal of Cheminformatics, 4, 1-17.
Ozgit, C., Donmez, I., Alevli, M., Biyikli, B. (2011). Self-limiting low-temperature growth of crystalline AlN thin films byplasma-enhanced atomic layer deposition. Thin Solid Films, 520, 2750–2755.
Petri, I.R., Mikko, R.L, Markku, L.A. (2002). Atomic layer deposition of Al2O3 films using AlCl3 and Al(OiPr)3 as precursors., Department of Chemistry, University of Helsinki, P.O. Box 55.
Riikka, L., Puurunen. (2005).Surface chemistry of atomic layer deposition: a case study for the trimethylaluminum/ water process, Applied Physics, 97, 1-54.
Smith, D.L. (1995). Thin-film deposition: principle and practice,New York: McGraw-Hill.
Witit-anuna, N., Chaiyakun, S., Limsuwan, P., and Chewpraditkul, W. (2001). Thickness Measurement of Gold Film Coating on Glass Substrate by X-Ray Fluorescence Technique, KMUTT Research and Development Journal, 3, 299-310, (in Thai)
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2018-12-14
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บทความวิจัยจากการประชุมวิชาการระดับชาติ"วิทยาศาสตร์วิจัย"ครั้งที่ 10
