Multi-level simulation study of crystal growth and defect formation processes in SiC

Hiromitsu Takaba, Ai Sagawa, Miki Sato, Seika Ouchi, Yuko Yoshida, Yukie Hayashi, Emi Sato, Kenji Inaba, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Momoji Kubo, Carlos A. Del Carpio, Yasuo Kitou, Emi Makino, Norikazu Hosokawa, Jun Hasegawa, Shoichi Onda & 1 others Akira Miyamoto

Research output: Contribution to journalConference article

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(000-1) surfaces, the adsorption energy by DFT follows the orders C> H > Si > SiC2 > Si2C > C2H 2. 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(000-1) 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.

Original languageEnglish
Pages (from-to)131-134
Number of pages4
JournalMaterials Science Forum
Volume600-603
DOIs
Publication statusPublished - Apr 10 2009
Event12th International Conference on Silicon Carbide and Related Materials, ICSCRM 2007 - Otsu, Japan
Duration: Oct 14 2007Oct 19 2007

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Crystal defects
Crystallization
Crystal growth
crystal defects
crystal growth
Adsorption
adsorption
Discrete Fourier transforms
simulation
Binding energy
Surface structure
Density functional theory
Monte Carlo methods
Monte Carlo method
binding energy
Defects
Crystals
density functional theory
energy
defects

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

Cite this

Takaba, H., Sagawa, A., Sato, M., Ouchi, S., Yoshida, Y., Hayashi, Y., ... Miyamoto, A. (2009). Multi-level simulation study of crystal growth and defect formation processes in SiC. Materials Science Forum, 600-603, 131-134. https://doi.org/10.4028/3-908453-11-9.131

Multi-level simulation study of crystal growth and defect formation processes in SiC. / Takaba, Hiromitsu; Sagawa, Ai; Sato, Miki; Ouchi, Seika; Yoshida, Yuko; Hayashi, Yukie; Sato, Emi; Inaba, Kenji; Sahnoun, Riadh; Koyama, Michihisa; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Kubo, Momoji; Del Carpio, Carlos A.; Kitou, Yasuo; Makino, Emi; Hosokawa, Norikazu; Hasegawa, Jun; Onda, Shoichi; Miyamoto, Akira.

In: Materials Science Forum, Vol. 600-603, 10.04.2009, p. 131-134.

Research output: Contribution to journalConference article

Takaba, H, Sagawa, A, Sato, M, Ouchi, S, Yoshida, Y, Hayashi, Y, Sato, E, Inaba, K, Sahnoun, R, Koyama, M, Tsuboi, H, Hatakeyama, N, Endou, A, Kubo, M, Del Carpio, CA, Kitou, Y, Makino, E, Hosokawa, N, Hasegawa, J, Onda, S & Miyamoto, A 2009, 'Multi-level simulation study of crystal growth and defect formation processes in SiC', Materials Science Forum, vol. 600-603, pp. 131-134. https://doi.org/10.4028/3-908453-11-9.131
Takaba, Hiromitsu ; Sagawa, Ai ; Sato, Miki ; Ouchi, Seika ; Yoshida, Yuko ; Hayashi, Yukie ; Sato, Emi ; Inaba, Kenji ; Sahnoun, Riadh ; Koyama, Michihisa ; Tsuboi, Hideyuki ; Hatakeyama, Nozomu ; Endou, Akira ; Kubo, Momoji ; Del Carpio, Carlos A. ; Kitou, Yasuo ; Makino, Emi ; Hosokawa, Norikazu ; Hasegawa, Jun ; Onda, Shoichi ; Miyamoto, Akira. / Multi-level simulation study of crystal growth and defect formation processes in SiC. In: Materials Science Forum. 2009 ; Vol. 600-603. pp. 131-134.
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AU - Miyamoto, Akira

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