Influence of oxygen vacancies and strain on electronic reliability of SiO2-x films

Ken Suzuki, Yuta Ito, Hideo Miura, Tetsuo Shoji

Research output: Contribution to journalConference articlepeer-review


We performed a quantum chemical molecular dynamics analysis for SiO 2-x structure under strain to make clear the effect of the strain and intrinsic defects on both electronic and structural characteristics of SiO2-x. The SiO2-x showed a large change of the structure during the simulation. This is mainly because that the Si-O bonds near an oxygen vacancy were broken and a free silicon monoxide molecule was generated in the SiO2-x structure. The magnitude of the band gap of the SiO2-x decreased drastically due to the formation of the free monoxide. In addition, the band gap decreased further under large tensile strain of about 10%. We can conclude therefore, that both the existence of oxygen vacancies and tensile strain in SiO2-x films deteriorate the electronic reliability of the oxide film seriously.

Original languageEnglish
Article numberE9.19
Pages (from-to)77-82
Number of pages6
JournalMaterials Research Society Symposium Proceedings
Publication statusPublished - 2005 Dec 1
Event2005 materials Research Society Spring Meeting - San Francisco, CA, United States
Duration: 2005 Mar 282005 Apr 1

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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