A tight binding method study of optimized Si-SiO2 system

Hiroshi Watanabe*, Kenji Kawabata, Takashi Ichikawa

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


A mixed method of molecular dynamics and tight binding is applied to a Si-cluster surrounded by SiO2 in order to study an influence of interfacial states on the band structure of the Si cluster. As a result, it is found that intrinsic interfacial states invade the band gaps of Si and SiO 2 from the conduction band, which may suggest that the Si dot surrounded by SiO2 sounds metallic due to the interfacial states. This feature occurs while the size of the Si dot is less than at least 4 nm.

Original languageEnglish
Article number5580042
Pages (from-to)3084-3091
Number of pages8
JournalIEEE Transactions on Electron Devices
Issue number11
StatePublished - 1 Nov 2010


  • Band gap
  • density-of-states (DOS)
  • interfacial states
  • molecular dynamics
  • Si dot
  • SiO
  • tight binding

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