Paper Title:
Multi-Level Simulation Study of Crystal Growth and Defect Formation Processes in SiC
  Abstract

The mechanism of layer growth as well as defect formation in the SiC crystal is fundamentally important to derive its appropriate performance. The purpose of the present study is to investigate competitive adsorption properties of growth species on the various 4H-SiC polytype surfaces. Adsorption structure and binding energy of growth species in the experimentally condition on various SiC surfaces were investigated by density functional theory. For the SiC(000-1) and SiC(0001) surfaces, the adsorption energy by DFT follows the orders C > H > Si > SiC2 > Si2C > C2H2. Furthermore, based on the DFT results, amount of adsorption of each species in the experimental pressure condition were evaluated by grand canonical Monte Carlo method. H and Si are main adsorbed species on SiC(0001) and SiC(000-1) surfaces, respectively. The ratio of amount of adsorption of Si to H was depending on the surface structure that might explain different growth rate of the surfaces.

  Info
Periodical
Materials Science Forum (Volumes 600-603)
Edited by
Akira Suzuki, Hajime Okumura, Tsunenobu Kimoto, Takashi Fuyuki, Kenji Fukuda and Shin-ichi Nishizawa
Pages
131-134
DOI
10.4028/www.scientific.net/MSF.600-603.131
Citation
H. Takaba, A. Sagawa, M. Sato, S. Ouchi, Y. Yoshida, Y. Hayashi, E. Sato, K. Inaba, R. Sahnoun, M. Koyama, H. Tsuboi, N. Hatakeyama, A. Endou, M. Kubo, C. A. Del Carpio, Y. Kito, E. Makino, N. Hosokawa, J. Hasegawa, S. Onda, A. Miyamoto, "Multi-Level Simulation Study of Crystal Growth and Defect Formation Processes in SiC ", Materials Science Forum, Vols. 600-603, pp. 131-134, 2009
Online since
September 2008
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$32.00
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