Ab initio study of boron pile-up at the Si(001)/ SiO2 interface

Jinyu Zhang; Yoshio Ashizawa; Hideki Oka; Chioko Kaneta; Takahiro Yamazaki

doi:10.1109/SISPAD.2006.282858

Ab initio study of boron pile-up at the Si(001)/ SiO₂ interface

Jinyu Zhang, Yoshio Ashizawa, Hideki Oka, Chioko Kaneta, Takahiro Yamazaki

Center for Innovative Integrated Electronic Systems (CIES)

Fujitsu

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

2 Citations (Scopus)

Abstract

We studied the atomistic structure of boron atom at the Si(001)ZSiO ₂ interface using ab initio calculation method to investigate the mechanism of boron pile-up at the interface. We found that, if there is no defects, such as oxygen vacancy, at the interface, no stable sites of B would appear at Si/SiO₂ interface and SiO₂ layer, thus indicating that boron in silicon will only diffuse to the interface, but not segregate across the interface, unless additional defects or impurities exist. By introducing oxygen vacancy and H bonds, we found some stable configurations at Si/SiO₂ interface, which can support the mechanism of boron segregation at Si(001)/SiO₂ interface. Therefore, we assume that vacancy of O and H bonds may play a crucial role in segregation by opening additional trapping sites. Furthermore, we also found the largest energy difference between B at Si/SiO₂ interface and that in deep bulk Si is about 2.9eV, which is in agreement with experimental boron activation energy of emission from Si/SiO₂ value of 2.64eV.

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	143-146
Number of pages	4
ISBN (Print)	1424404045, 9781424404049
DOIs	https://doi.org/10.1109/SISPAD.2006.282858
Publication status	Published - 2006
Event	2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06 - Monterey, CA, United States Duration: 2006 Sept 6 → 2006 Sept 8

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	06/9/6 → 06/9/8

Keywords

Ab initio
Boron
Pile-up
Si/SiO interface

Access to Document

10.1109/SISPAD.2006.282858

Cite this

Zhang, J., Ashizawa, Y., Oka, H., Kaneta, C., & Yamazaki, T. (2006). Ab initio study of boron pile-up at the Si(001)/ SiO₂ interface. In 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06 (pp. 143-146). Article 4061601 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/SISPAD.2006.282858

Zhang, Jinyu ; Ashizawa, Yoshio ; Oka, Hideki et al. / Ab initio study of boron pile-up at the Si(001)/ SiO₂ interface. 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06. Institute of Electrical and Electronics Engineers Inc., 2006. pp. 143-146 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD).

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title = "Ab initio study of boron pile-up at the Si(001)/ SiO2 interface",

abstract = "We studied the atomistic structure of boron atom at the Si(001)ZSiO 2 interface using ab initio calculation method to investigate the mechanism of boron pile-up at the interface. We found that, if there is no defects, such as oxygen vacancy, at the interface, no stable sites of B would appear at Si/SiO2 interface and SiO2 layer, thus indicating that boron in silicon will only diffuse to the interface, but not segregate across the interface, unless additional defects or impurities exist. By introducing oxygen vacancy and H bonds, we found some stable configurations at Si/SiO2 interface, which can support the mechanism of boron segregation at Si(001)/SiO2 interface. Therefore, we assume that vacancy of O and H bonds may play a crucial role in segregation by opening additional trapping sites. Furthermore, we also found the largest energy difference between B at Si/SiO2 interface and that in deep bulk Si is about 2.9eV, which is in agreement with experimental boron activation energy of emission from Si/SiO2 value of 2.64eV.",

keywords = "Ab initio, Boron, Pile-up, Si/SiO interface",

author = "Jinyu Zhang and Yoshio Ashizawa and Hideki Oka and Chioko Kaneta and Takahiro Yamazaki",

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Zhang, J, Ashizawa, Y, Oka, H, Kaneta, C & Yamazaki, T 2006, Ab initio study of boron pile-up at the Si(001)/ SiO₂ interface. in 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06., 4061601, International Conference on Simulation of Semiconductor Processes and Devices, SISPAD, Institute of Electrical and Electronics Engineers Inc., pp. 143-146, 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06, Monterey, CA, United States, 06/9/6. https://doi.org/10.1109/SISPAD.2006.282858

Ab initio study of boron pile-up at the Si(001)/ SiO₂ interface. / Zhang, Jinyu; Ashizawa, Yoshio; Oka, Hideki et al.
2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06. Institute of Electrical and Electronics Engineers Inc., 2006. p. 143-146 4061601 (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 - Ab initio study of boron pile-up at the Si(001)/ SiO2 interface

AU - Zhang, Jinyu

AU - Ashizawa, Yoshio

AU - Oka, Hideki

AU - Kaneta, Chioko

AU - Yamazaki, Takahiro

PY - 2006

Y1 - 2006

N2 - We studied the atomistic structure of boron atom at the Si(001)ZSiO 2 interface using ab initio calculation method to investigate the mechanism of boron pile-up at the interface. We found that, if there is no defects, such as oxygen vacancy, at the interface, no stable sites of B would appear at Si/SiO2 interface and SiO2 layer, thus indicating that boron in silicon will only diffuse to the interface, but not segregate across the interface, unless additional defects or impurities exist. By introducing oxygen vacancy and H bonds, we found some stable configurations at Si/SiO2 interface, which can support the mechanism of boron segregation at Si(001)/SiO2 interface. Therefore, we assume that vacancy of O and H bonds may play a crucial role in segregation by opening additional trapping sites. Furthermore, we also found the largest energy difference between B at Si/SiO2 interface and that in deep bulk Si is about 2.9eV, which is in agreement with experimental boron activation energy of emission from Si/SiO2 value of 2.64eV.

AB - We studied the atomistic structure of boron atom at the Si(001)ZSiO 2 interface using ab initio calculation method to investigate the mechanism of boron pile-up at the interface. We found that, if there is no defects, such as oxygen vacancy, at the interface, no stable sites of B would appear at Si/SiO2 interface and SiO2 layer, thus indicating that boron in silicon will only diffuse to the interface, but not segregate across the interface, unless additional defects or impurities exist. By introducing oxygen vacancy and H bonds, we found some stable configurations at Si/SiO2 interface, which can support the mechanism of boron segregation at Si(001)/SiO2 interface. Therefore, we assume that vacancy of O and H bonds may play a crucial role in segregation by opening additional trapping sites. Furthermore, we also found the largest energy difference between B at Si/SiO2 interface and that in deep bulk Si is about 2.9eV, which is in agreement with experimental boron activation energy of emission from Si/SiO2 value of 2.64eV.

KW - Ab initio

KW - Boron

KW - Pile-up

KW - Si/SiO interface

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SN - 9781424404049

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

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

PB - Institute of Electrical and Electronics Engineers Inc.

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Zhang J, Ashizawa Y, Oka H, Kaneta C, Yamazaki T. Ab initio study of boron pile-up at the Si(001)/ SiO₂ interface. In 2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06. Institute of Electrical and Electronics Engineers Inc. 2006. p. 143-146. 4061601. (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD). doi: 10.1109/SISPAD.2006.282858