極薄SiO2/Si界面のエネルギー障壁の第一原理計算`†´

書誌事項

タイトル別名
  • First Principles Calculations of Band Discontinuity at Ultrathin SiO2/Si Interfaces
  • 極薄SiO2/Si界面のエネルギー障壁の第一原理計算
  • ゴクウス SiO2 Si カイメン ノ エネルギー ショウヘキ ノ ダイイチ ゲンリ ケイサン

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抄録

The energy barrier and penetration depth of a hole are studied for ultrathin SiO2/Si interfaces. Layer thickness dependence and injected carrier concentration dependence are calculated for the superlattice structure, by using a first-principles pseudo-potential approach based on the density-functional theory. A new method to evaluate the energy barrier is proposed, which is derived from calculation of both the energy band structure and behavior of the Bloch function. The energy barrier for a hole is reduced with a decrease in Si layer thickness by confinement effect and is reduced also with the monolayer thickness of SiO2. The energy barrier increases by electron injection and decreases by hole injection.

収録刊行物

  • 表面科学

    表面科学 24 (9), 550-555, 2003

    公益社団法人 日本表面科学会

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