Improved interatomic potential for stressed Si, O mixed systems

T. Watanabe*, D. Yamasaki, K. Tatsumura, I. Ohdomari

*この研究の対応する著者

研究成果: Conference article査読

55 被引用数 (Scopus)

抄録

We propose an improved formula of a previous interatomic potential for Si, O mixed systems. The new potential is designed so as to more accurately reproduce the structural property of compressively strained SiO 2 structures, by reducing unnatural steric hindrance caused by a long-range part of a three-body term. As the results of the improvement, (1) compressive stress in SiO 2 film, which was highly overestimated to be 13GPa by the earlier potential, is reduced to 2.7GPa, and (2) a spurious peak in Si-O pair correlation function of SiO 2 film disappeared. A limitation of the conventional interatomic potentials and its solution are also discussed.

本文言語English
ページ(範囲)207-213
ページ数7
ジャーナルApplied Surface Science
234
1-4
DOI
出版ステータスPublished - 2004 7月 15
イベントThe Ninth International Conference on the Formation of Semicon - Madrid, Spain
継続期間: 2003 9月 152003 9月 19

ASJC Scopus subject areas

  • 化学 (全般)
  • 凝縮系物理学
  • 物理学および天文学(全般)
  • 表面および界面
  • 表面、皮膜および薄膜

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