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

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

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

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 languageEnglish
Title of host publication2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages143-146
Number of pages4
ISBN (Print)1424404045, 9781424404049
DOIs
Publication statusPublished - 2006
Externally publishedYes
Event2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06 - Monterey, CA, United States
Duration: 2006 Sep 62006 Sep 8

Publication series

NameInternational Conference on Simulation of Semiconductor Processes and Devices, SISPAD

Conference

Conference2006 International Conference on Simulation of Semiconductor Process and Devices, SISPAD '06
CountryUnited States
CityMonterey, CA
Period06/9/606/9/8

Keywords

  • Ab initio
  • Boron
  • Pile-up
  • Si/SiO interface

ASJC Scopus subject areas

  • Engineering(all)

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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 (pp. 143-146). [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