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 OndaAkira Miyamoto

研究成果: ジャーナルへの寄稿Conference article


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.

ジャーナルMaterials Science Forum
出版物ステータス出版済み - 4 10 2009
イベント12th International Conference on Silicon Carbide and Related Materials, ICSCRM 2007 - Otsu, 日本
継続期間: 10 14 200710 19 2007


All Science Journal Classification (ASJC) codes

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


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.