Development of crystal growth simulator based on tight-binding quantum chemical molecular dynamics method and its application to silicon chemical vapor deposition processes

Takuya Kuwahara, Hiroshi Ito, Yuji Higuchi, Nobuki Ozawa, Momoji Kubo

研究成果: ジャーナルへの寄稿学術誌査読

13 被引用数 (Scopus)

抄録

We have developed a crystal growth simulator based on tight-binding quantum chemical molecular dynamics (TB-QCMD) method and applied it to plasma-enhanced chemical vapor deposition (PECVD) processes for silicon thin-film growth via SiH 3 radicals on hydrogen-terminated Si(001). We successfully simulated the abstraction of a surface hydrogen atom by irradiated SiH 3 radical and the formation of a dangling bond on the hydrogen-terminated Si(001) surface. SiH 3 radical was subsequently adsorbed on this dangling bond. When these processes were repeated, the thin film grew. Thus, a detailed mechanism was successfully found for the chemical reaction and electron transfer dynamics of silicon thin film growth by PECVD.

本文言語英語
ページ(範囲)12525-12531
ページ数7
ジャーナルJournal of Physical Chemistry C
116
23
DOI
出版ステータス出版済み - 6月 14 2012
外部発表はい

!!!All Science Journal Classification (ASJC) codes

  • 電子材料、光学材料、および磁性材料
  • エネルギー一般
  • 物理化学および理論化学
  • 表面、皮膜および薄膜

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