A Theoretical Study on the Realistic Low Concentration Doping in Silicon Semiconductors by Accelerated Quantum Chemical Molecular Dynamics Method

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概要

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• We present a theoretical study of the structural and electronic properties of a realistic low concentration (${<}0.5$%) doping model in silicon semiconductor. The density of states was calculated using our newly developed accelerated quantum chemical molecular dynamics method, based on our original tight-binding theory. Using this approach, the band structures of large-size silicon model including n-type and p-type dopants were successfully simulated. The results are in good agreement with the experimental results. Furthermore, we also performed quantum chemical molecular dynamics simulation of the dopants in silicon and observed the change of the dopant levels during the simulation. These results clearly suggest that our original quantum chemical molecular dynamics program is a very effective tool for not only the band structure of a realistically low concentration dopant model but also for the electronic states dynamics of silicon semiconductors.

• 2003-04-15

著者

• Kubo Momoji

  Department Of Applied Chemistry Graduate School Of Engineering 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

• Kitahara Yoshiyuki

  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

• Kitahara Yoshiyuki

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

• Kubo Momoji

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

• Kanoh Masaaki

  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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