Tight-binding quantum chemical molecular dynamics simulations of mechanisms of SiO2 etching processes for CF2 and CF3 radicals

Hiroshi Ito, Takuya Kuwahara, Kentaro Kawaguchi, Yuji Higuchi, Nobuki Ozawa, Seiji Samukawa, Momoji Kubo

研究成果: Article査読

6 被引用数 (Scopus)

抄録

The plasma etching of SiO2 by CF2 and CF3 radicals is investigated by using our etching simulator based on tight-binding quantum chemical molecular dynamics method. During etching simulations, C-F and Si-O bonds dissociate and C-O and Si-F bonds are generated. Moreover, CO, CO2, COF, and COF2 molecules form, which is consistent with previous experimental studies. We also examine the dependence of the etching mechanism of CF2 and CF3 radicals on the kinetic energy of irradiation. At a low kinetic energy of 10 eV, a CF2 radical dissociates more Si-O bonds than a CF3 radical does. This is because the high chemical reactivity of the CF2 diradical accelerates the etching process. At a high kinetic energy of 150 eV, a CF3 radical dissociates more Si-O bonds than a CF2 radical does. This is because a CF3 radical generates a greater number of reactive F atoms than a CF2 radical does and thus forms more Si-F bonds. Thus, we conclude that our etching simulator modeled the different SiO2 etching mechanisms of CF2 and CF3 radicals, which arose from the different chemical reactivities of radicals and F atoms at different kinetic energies. This is the first quantum chemistry study to model complicated chemical reactions, which are induced by the attack of many radical species, and clarify the different SiO2 etching mechanisms for CF2 and CF3 radicals.

本文言語English
ページ(範囲)21580-21588
ページ数9
ジャーナルJournal of Physical Chemistry C
118
37
DOI
出版ステータスPublished - 2014 9 18

ASJC Scopus subject areas

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

フィンガープリント

「Tight-binding quantum chemical molecular dynamics simulations of mechanisms of SiO<sub>2</sub> etching processes for CF<sub>2</sub> and CF<sub>3</sub> radicals」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

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