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Influence of Oxygen Vacancies and Strain on Electronic Reliability of SiO2-x Films

Published online by Cambridge University Press:  01 February 2011

Ken Suzuki
Affiliation:
Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University Aramaki Aoba 6-6-11, Aoba-ku, Sendai 980-8579, Japan
Yuta Ito
Affiliation:
Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University Aramaki Aoba 6-6-11, Aoba-ku, Sendai 980-8579, Japan
Hideo Miura
Affiliation:
Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University Aramaki Aoba 6-6-11, Aoba-ku, Sendai 980-8579, Japan
Tetsuo Shoji
Affiliation:
Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University Aramaki Aoba 6-6-11, Aoba-ku, Sendai 980-8579, Japan
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Abstract

We performed a quantum chemical molecular dynamics analysis for SiO2-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.

Type
Research Article
Copyright
Copyright © Materials Research Society 2005

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