Molecular Dynamics Study of Fast Diffusion of Cu in Silicon
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概要
- 論文の詳細を見る
A distinguishing property of copper impurities in silicon is their very fast diffusivity, which is undesirable in silicon device processes. This paper is the first attempt to simulate the fast diffusion of Cu by first-principles calculations. It is shown that, even near room temperature, the amplitude of Cu vibrations is very large; this is a consequence of the fact that the local mode of Cu has very low frequencies. At $T>1000$ K, the simulations demonstrate clear migration between adjacent cells. The diffusion path is from an interstitial $T$ site to the next $T$ site through an $H$ site. The Arrhenius plot of the calculated diffusion constants agrees with the experimental data on the intrinsic diffusion of Cu, which are currently most reliable data available.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2005-11-15
著者
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MICHIKITA Toshiyuki
Department of Condensed Matter Physics, The Institute of Scientific and Industrial Research (ISIR),
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SHIRAI Koun
Department of Computational Nanomaterials Design, Nanoscience and Nanotechnology Center, ISIR, Osaka
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Katayama-Yoshida Hiroshi
Department of Computational Nanomaterials Design, Nanoscience and Nanotechnology Center, The Institute of Scientific and Industrial Research (ISIR), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047, Japan
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Takayama-Yoshida Hiroshi
Department of Computational Nanomaterials Design, Nanoscience and Nanotechnology Center, The Institute of Scientific and Industrial Research (ISIR), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047, Japan
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Michikita Toshiyuki
Department of Condensed Matter Physics, ISIR, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047, Japan
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