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

Ken Suzuki; Yuta Ito; Hideo Miura

doi:10.1109/sispad.2005.201539

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

Ken Suzuki, Yuta Ito, Hideo Miura

ENG - Fracture and Reliability Research Institute

Research output: Chapter in Book/Report/Conference proceeding › Conference 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 SiO_2-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 SiO_2-x deforms drastically because the Si-O bonds neighboring an oxygen vacancy are broken and a free silicon monoxide molecule is generated in the SiO_2-x structure. The magnitude of the band gap of the SiO_2-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 SiO_2-x films deteriorate the electronic reliability of the oxide film seriously.

Original language	English
Title of host publication	2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005
Publisher	Institute of Electrical and Electronics Engineers Inc.
Pages	327-330
Number of pages	4
ISBN (Print)	4990276205, 9784990276201
DOIs	https://doi.org/10.1109/sispad.2005.201539
Publication status	Published - 2005
Event	2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005 - Tokyo, Japan Duration: 2005 Sept 1 → 2005 Sept 3

Publication series

Name	International Conference on Simulation of Semiconductor Processes and Devices, SISPAD
Volume	2005

Other

Other	2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005
Country/Territory	Japan
City	Tokyo
Period	05/9/1 → 05/9/3

ASJC Scopus subject areas

Engineering(all)

Access to Document

10.1109/sispad.2005.201539

Cite this

Suzuki, K., Ito, Y., & Miura, H. (2005). Quantum chemical molecular dynamics analysis of the effect of intrinsic defects and strain on dielectric characteristic of gate oxide films. In 2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005 (pp. 327-330). [1562091] (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD; Vol. 2005). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/sispad.2005.201539

Quantum chemical molecular dynamics analysis of the effect of intrinsic defects and strain on dielectric characteristic of gate oxide films. / Suzuki, Ken; Ito, Yuta; Miura, Hideo.

2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005. Institute of Electrical and Electronics Engineers Inc., 2005. p. 327-330 1562091 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD; Vol. 2005).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Suzuki, K, Ito, Y & Miura, H 2005, Quantum chemical molecular dynamics analysis of the effect of intrinsic defects and strain on dielectric characteristic of gate oxide films. in 2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005., 1562091, International Conference on Simulation of Semiconductor Processes and Devices, SISPAD, vol. 2005, Institute of Electrical and Electronics Engineers Inc., pp. 327-330, 2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005, Tokyo, Japan, 05/9/1. https://doi.org/10.1109/sispad.2005.201539

Suzuki K, Ito Y, Miura H. Quantum chemical molecular dynamics analysis of the effect of intrinsic defects and strain on dielectric characteristic of gate oxide films. In 2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005. Institute of Electrical and Electronics Engineers Inc. 2005. p. 327-330. 1562091. (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD). doi: 10.1109/sispad.2005.201539

Suzuki, Ken ; Ito, Yuta ; Miura, Hideo. / Quantum chemical molecular dynamics analysis of the effect of intrinsic defects and strain on dielectric characteristic of gate oxide films. 2005 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2005. Institute of Electrical and Electronics Engineers Inc., 2005. pp. 327-330 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD).

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

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.",

author = "Ken Suzuki and Yuta Ito and Hideo Miura",

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doi = "10.1109/sispad.2005.201539",

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AU - Suzuki, Ken

AU - Ito, Yuta

AU - Miura, Hideo

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N2 - 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.

AB - 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.

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Y2 - 1 September 2005 through 3 September 2005

ER -

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

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