Quantum chemical molecular dynamics analysis of the effect of intrinsic defects and strain on dielectric characteristic of gate oxide films

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

In order to make clear the effect of strain and intrinsic defects in SiO2 on both its electronic and structural characteristics, we performed a quantum chemical molecular dynamics analysis for SiO2-x structure under strain. The band gap of SiO2 changes significantly by the deformation of the Si-O-Si bond angle due to the applied strain. The cristallographic structure of the SiO2-x deforms drastically because the Si-O bonds neighboring an oxygen vacancy are broken and a free silicon monoxide molecule is generated in the SiO2-x structure. The magnitude of the band gap of the SiO2-x decreases from 8.9 eV to 6.3 eV due to the change in the atomic configuration accompanying the diffusion of the free monoxide. In addition, the band gap decreases further under large tensile strain. 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
Title of host publication2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages327-330
Number of pages4
ISBN (Print)4990276205, 9784990276201
DOIs
Publication statusPublished - 2005
Event2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005 - Tokyo, Japan
Duration: 2005 Sep 12005 Sep 3

Publication series

NameInternational Conference on Simulation of Semiconductor Processes and Devices, SISPAD
Volume2005

Other

Other2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005
Country/TerritoryJapan
CityTokyo
Period05/9/105/9/3

ASJC Scopus subject areas

  • Engineering(all)

Fingerprint

Dive into the research topics of 'Quantum chemical molecular dynamics analysis of the effect of intrinsic defects and strain on dielectric characteristic of gate oxide films'. Together they form a unique fingerprint.

Cite this