Vacancy at Si-SiO2 interface: Ab-initio study

Taras A. Kirichenko; Decai Yu; Gyenong S. Hwang; Sanjay K. Banerjee

doi:10.1109/SISPAD.2006.282859

Vacancy at Si-SiO2 interface: Ab-initio study

Taras A. Kirichenko, Decai Yu, Gyenong S. Hwang, Sanjay K. Banerjee

Department of Chemical Engineering & Materials Science

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

1 Scopus citations

Abstract

Using density functional theory calculations within the generalized gradient approximation we have examined structure and dynamics of neutral Si vacancies at Si/SiO₂ interface. We show that Si/SiO₂ interface may serve as a limited sink for Si vacancies. Single vacancy and vacancy cluster defects are substantially more stable at c-Si/a-SiO2 interface compared to the bulk c-Si layers away from interface, mainly due to termination of dangling bonds with bridging O atoms and reduction of interface strain.

Original language	English
Title of host publication	2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06
Publisher	Institute of Electrical and Electronics Engineers Inc.
Pages	147-149
Number of pages	3
ISBN (Print)	1424404045, 9781424404049
DOIs	https://doi.org/10.1109/SISPAD.2006.282859
State	Published - 2006
Event	2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06 - Monterey, CA, United States Duration: 6 Sep 2006 → 8 Sep 2006

Publication series

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

Conference

Conference	2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06
Country/Territory	United States
City	Monterey, CA
Period	6/09/06 → 8/09/06

Keywords

Diffusion vacancy
Interface
Point defects
Si
SiO2

Access to Document

10.1109/SISPAD.2006.282859

Cite this

Kirichenko, T. A., Yu, D., Hwang, G. S., & Banerjee, S. K. (2006). Vacancy at Si-SiO2 interface: Ab-initio study. In 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06 (pp. 147-149). Article 4061602 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/SISPAD.2006.282859

@inproceedings{59e95489440749f19751fbae3561efca,

title = "Vacancy at Si-SiO2 interface: Ab-initio study",

abstract = "Using density functional theory calculations within the generalized gradient approximation we have examined structure and dynamics of neutral Si vacancies at Si/SiO2 interface. We show that Si/SiO2 interface may serve as a limited sink for Si vacancies. Single vacancy and vacancy cluster defects are substantially more stable at c-Si/a-SiO2 interface compared to the bulk c-Si layers away from interface, mainly due to termination of dangling bonds with bridging O atoms and reduction of interface strain.",

keywords = "Diffusion vacancy, Interface, Point defects, Si, SiO2",

author = "Kirichenko, {Taras A.} and Decai Yu and Hwang, {Gyenong S.} and Banerjee, {Sanjay K.}",

year = "2006",

doi = "10.1109/SISPAD.2006.282859",

language = "English",

isbn = "1424404045",

series = "International Conference on Simulation of Semiconductor Processes and Devices, SISPAD",

publisher = "Institute of Electrical and Electronics Engineers Inc.",

pages = "147--149",

booktitle = "2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06",

note = "2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06 ; Conference date: 06-09-2006 Through 08-09-2006",

}

Kirichenko, TA, Yu, D, Hwang, GS & Banerjee, SK 2006, Vacancy at Si-SiO2 interface: Ab-initio study. in 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06., 4061602, International Conference on Simulation of Semiconductor Processes and Devices, SISPAD, Institute of Electrical and Electronics Engineers Inc., pp. 147-149, 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06, Monterey, CA, United States, 6/09/06. https://doi.org/10.1109/SISPAD.2006.282859

Vacancy at Si-SiO2 interface: Ab-initio study. / Kirichenko, Taras A.; Yu, Decai; Hwang, Gyenong S. et al.
2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06. Institute of Electrical and Electronics Engineers Inc., 2006. p. 147-149 4061602 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD).

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

TY - GEN

T1 - Vacancy at Si-SiO2 interface

T2 - 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06

AU - Kirichenko, Taras A.

AU - Yu, Decai

AU - Hwang, Gyenong S.

AU - Banerjee, Sanjay K.

PY - 2006

Y1 - 2006

N2 - Using density functional theory calculations within the generalized gradient approximation we have examined structure and dynamics of neutral Si vacancies at Si/SiO2 interface. We show that Si/SiO2 interface may serve as a limited sink for Si vacancies. Single vacancy and vacancy cluster defects are substantially more stable at c-Si/a-SiO2 interface compared to the bulk c-Si layers away from interface, mainly due to termination of dangling bonds with bridging O atoms and reduction of interface strain.

AB - Using density functional theory calculations within the generalized gradient approximation we have examined structure and dynamics of neutral Si vacancies at Si/SiO2 interface. We show that Si/SiO2 interface may serve as a limited sink for Si vacancies. Single vacancy and vacancy cluster defects are substantially more stable at c-Si/a-SiO2 interface compared to the bulk c-Si layers away from interface, mainly due to termination of dangling bonds with bridging O atoms and reduction of interface strain.

KW - Diffusion vacancy

KW - Interface

KW - Point defects

KW - Si

KW - SiO2

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U2 - 10.1109/SISPAD.2006.282859

DO - 10.1109/SISPAD.2006.282859

M3 - Conference contribution

AN - SCOPUS:42549161980

SN - 1424404045

SN - 9781424404049

T3 - International Conference on Simulation of Semiconductor Processes and Devices, SISPAD

SP - 147

EP - 149

BT - 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06

PB - Institute of Electrical and Electronics Engineers Inc.

Y2 - 6 September 2006 through 8 September 2006

ER -

Kirichenko TA, Yu D, Hwang GS, Banerjee SK. Vacancy at Si-SiO2 interface: Ab-initio study. In 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06. Institute of Electrical and Electronics Engineers Inc. 2006. p. 147-149. 4061602. (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD). doi: 10.1109/SISPAD.2006.282859

Vacancy at Si-SiO2 interface: Ab-initio study

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Keywords

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