Behavior of Si interstitials and boron-interstitial pairs at the Si/SiO2 interface

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

doi:10.1557/proc-810-c8.5

Behavior of Si interstitials and boron-interstitial pairs at the Si/SiO₂ interface

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

Department of Chemical Engineering & Materials Science

Research output: Contribution to journal › Conference article › peer-review

Abstract

Using density functional theory calculations within the generalized gradient approximation, we have investigated the structure, energetics, bonding, and diffusion behavior of Si interstitials and boron-interstitial pairs at the Si/SiO₂ interface. We find that interstitials are significantly stabilized at the Si/SiO₂ interface and prefer to reside on the SiO₂ side rather than the Si side. Due to the interstitial stabilization, boron-interstitial pairs are likely to be easily dissociated in the vicinity of the Si/SiO₂ interface. This study provides valuable insight into interstitial annihilation and boron precipitation at the interface.

Original language	English
Pages (from-to)	339-344
Number of pages	6
Journal	Materials Research Society Symposium - Proceedings
Volume	810
DOIs	https://doi.org/10.1557/proc-810-c8.5
State	Published - 2004
Event	Silicon Front-End Junction Formation - Physics and Technology - San Francisco, CA, United States Duration: 13 Apr 2004 → 15 Apr 2004

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10.1557/proc-810-c8.5

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@article{5f351f99ba404e72b90945fab36f123e,

title = "Behavior of Si interstitials and boron-interstitial pairs at the Si/SiO2 interface",

abstract = "Using density functional theory calculations within the generalized gradient approximation, we have investigated the structure, energetics, bonding, and diffusion behavior of Si interstitials and boron-interstitial pairs at the Si/SiO2 interface. We find that interstitials are significantly stabilized at the Si/SiO2 interface and prefer to reside on the SiO2 side rather than the Si side. Due to the interstitial stabilization, boron-interstitial pairs are likely to be easily dissociated in the vicinity of the Si/SiO2 interface. This study provides valuable insight into interstitial annihilation and boron precipitation at the interface.",

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

year = "2004",

doi = "10.1557/proc-810-c8.5",

language = "English",

volume = "810",

pages = "339--344",

journal = "Materials Research Society Symposium - Proceedings",

issn = "0272-9172",

publisher = "Materials Research Society",

note = "Silicon Front-End Junction Formation - Physics and Technology ; Conference date: 13-04-2004 Through 15-04-2004",

}

TY - JOUR

T1 - Behavior of Si interstitials and boron-interstitial pairs at the Si/SiO2 interface

AU - Kirichenko, Taras A.

AU - Yu, Decai

AU - Banerjee, Sanjay K.

AU - Hwang, Gyeong S.

PY - 2004

Y1 - 2004

N2 - Using density functional theory calculations within the generalized gradient approximation, we have investigated the structure, energetics, bonding, and diffusion behavior of Si interstitials and boron-interstitial pairs at the Si/SiO2 interface. We find that interstitials are significantly stabilized at the Si/SiO2 interface and prefer to reside on the SiO2 side rather than the Si side. Due to the interstitial stabilization, boron-interstitial pairs are likely to be easily dissociated in the vicinity of the Si/SiO2 interface. This study provides valuable insight into interstitial annihilation and boron precipitation at the interface.

AB - Using density functional theory calculations within the generalized gradient approximation, we have investigated the structure, energetics, bonding, and diffusion behavior of Si interstitials and boron-interstitial pairs at the Si/SiO2 interface. We find that interstitials are significantly stabilized at the Si/SiO2 interface and prefer to reside on the SiO2 side rather than the Si side. Due to the interstitial stabilization, boron-interstitial pairs are likely to be easily dissociated in the vicinity of the Si/SiO2 interface. This study provides valuable insight into interstitial annihilation and boron precipitation at the interface.

UR - https://www.scopus.com/pages/publications/5544262692

U2 - 10.1557/proc-810-c8.5

DO - 10.1557/proc-810-c8.5

M3 - Conference article

AN - SCOPUS:5544262692

SN - 0272-9172

VL - 810

SP - 339

EP - 344

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

T2 - Silicon Front-End Junction Formation - Physics and Technology

Y2 - 13 April 2004 through 15 April 2004

ER -

Behavior of Si interstitials and boron-interstitial pairs at the Si/SiO2 interface

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Behavior of Si interstitials and boron-interstitial pairs at the Si/SiO₂ interface