Quantum Chemical Molecular Dynamics Simulation of the Plasma Etching Processes

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概要

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• Recently, we reported the successful development of a new accelerated quantum chemical molecular dynamics program “Colors”, which is based on our original tight-binding theory. This methodology enables us to perform fast and accurate quantum chemical molecular dynamics simulations as compared to the conventional first principles molecular dynamics methods. In the present investigation, “Colors” program is used to simulate the bombardment of an energetic CF2 radical onto a SiO2 surface. Atomic bond populations were analyzed in order to clarify the bond-breaking and bond-formation processes during the bombardment. The results indicate that the bombardment of a CF2 radical with higher kinetic energy led to Si-O bond-breaking as well as to the formation of C-O and Si-F bonds. The results are in good agreement with experimental observations. Furthermore, it can also be deduced from this study that the novel accelerated quantum chemical molecular dynamics program is a very effective tool to clarify the chemical reaction dynamics during the plasma etching processes.

• 2003-04-15

著者

• Kubo Momoji

  Department Of Applied Chemistry Graduate School Of Engineering Tohoku University

• Selvam Parasuraman

  New Industry Creation Hatchery Center Tohoku University

• KUROKAWA Hitoshi

  Department of Materials Chemistry, Graduate School of Engineering, Tohoku University

• Miyamoto Akira

  Department Of Applied Chemistry Graduate School Of Engineering Tohoku University

• Takami Seiichi

  Department Of Chemical System Engineering Faculty Of Engineering The University Of Tokyo

• Kanoh Masaaki

  Corporate Manufacturing Engineering Center Toshiba Corporation

• Sasata Katsumi

  Department Of Applied Chemistry Graduate School Of Engineering Tohoku University

• Shinmura Tadashi

  Corporate Manufacturing Engineering Center Toshiba Corporation

• Imamura Akira

  Department Of Electronic Engineering Graduate School Of Engineering The University Of Tokyo

• Yokosuka Toshiyuki

  Department Of Materials Chemistry Graduate School Of Engineering Tohoku University

• Yokosuka Toshiyuki

  Department of Materials Chemistry, Graduate School of Engineering,Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan

• Miyamoto Akira

  Department of Materials Chemistry, Graduate School of Engineering,Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan

• Sasata Katsumi

  Department of Materials Chemistry, Graduate School of Engineering,Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan

• Kurokawa Hitoshi

  Department of Materials Chemistry, Graduate School of Engineering,Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan

• Kubo Momoji

  Department of Materials Chemistry, Graduate School of Engineering,Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan

• Takami Seiichi

  Department of Materials Chemistry, Graduate School of Engineering,Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan

• Shinmura Tadashi

  Corporate Manufacturing Engineering Center, Toshiba Corporation, 33 Shin-Isogo-cho, Isogo-ku, Yokohama 235-0017, Japan

• Imamura Akira

  Department of Chemistry, Faculty of Science, Hiroshima University

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