Improved interatomic potential for stressed Si, O mixed systems

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

Research output: Contribution to journalConference article

51 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)207-213
Number of pages7
JournalApplied Surface Science
Volume234
Issue number1-4
DOIs
Publication statusPublished - 2004 Jul 15
EventThe Ninth International Conference on the Formation of Semicon - Madrid, Spain
Duration: 2003 Sep 152003 Sep 19

Keywords

  • SiO film
  • Steric hindrance
  • Three-body term

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Physics and Astronomy(all)
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films

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