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[19p-B1-2]First-principles Study on Defect Levels Related to Silicon Emission from Interface into Oxide during Silicon Thermal Oxidation

〇Hiroyuki Kageshima1, Toru Akiyama2, Kenji Shiraishi3 (1.Shimane Univ., 2.Mie Univ., 3.Nagoya Univ.)
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Keywords:

Si oxidation,Si emission,first-principles calculation

We focus on Si emitted from the interface into the oxide film during the Si oxidation process that forms the MOS interface. If structures called 2-coordinated SiO interstitial and 4-coordinated SiO interstitial, temporarily formed on the diffusion path in the oxide film, remain after the oxidation process, it might become defect levels. We have studied this by the first-principles calculation. The results are qualitatively similar to O vacancy in alpha-quartz, but quantitatively different. Since the transition between 2+ and 0 happens just around the middle of band gap, it is suggested that the defects could have serious consequences in terms of MOS device operation.

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