Structure and dynamics of SI interstitials at SI(001) and SI(001)/SIO 2

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

Structure and dynamics of SI interstitials at SI(001) and SI(001)/SIO ₂

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

Department of Chemical Engineering & Materials Science

Research output: Contribution to conference › Paper › peer-review

Abstract

Using density functional theory calculations within the generalized gradient approximation we have investigated the atomic and electronic structures and diffusion behavior of Si interstitials at the clean and H-terminated Si(001) surface and at the c-Si/a-SiO ₂ interface. We find that interstitials are significantly stabilized at the surfaces and interfaces. Along with structure and energetics, we analyze the bonding mechanisms of interstitials based on electron density and electron localization function topologies.

Original language	English
Pages	112-119
Number of pages	8
State	Published - 2004
Event	Advanced Short-Time Thermal Processing for Si-Based CMOS Devices II - Proceedings of the International Symposium - San Antonio, TX, United States Duration: 10 May 2004 → 12 May 2004

Conference

Conference	Advanced Short-Time Thermal Processing for Si-Based CMOS Devices II - Proceedings of the International Symposium
Country/Territory	United States
City	San Antonio, TX
Period	10/05/04 → 12/05/04

Cite this

@conference{fc47f6bb377749c495166140604c0994,

title = "Structure and dynamics of SI interstitials at SI(001) and SI(001)/SIO 2 ",

abstract = "Using density functional theory calculations within the generalized gradient approximation we have investigated the atomic and electronic structures and diffusion behavior of Si interstitials at the clean and H-terminated Si(001) surface and at the c-Si/a-SiO 2 interface. We find that interstitials are significantly stabilized at the surfaces and interfaces. Along with structure and energetics, we analyze the bonding mechanisms of interstitials based on electron density and electron localization function topologies.",

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

year = "2004",

language = "English",

pages = "112--119",

note = "Advanced Short-Time Thermal Processing for Si-Based CMOS Devices II - Proceedings of the International Symposium ; Conference date: 10-05-2004 Through 12-05-2004",

}

Structure and dynamics of SI interstitials at SI(001) and SI(001)/SIO ₂ . / Kirichenko, Taras A.; Yu, Decai; Banerjee, Sanjay K. et al.
2004. 112-119 Paper presented at Advanced Short-Time Thermal Processing for Si-Based CMOS Devices II - Proceedings of the International Symposium, San Antonio, TX, United States.

Research output: Contribution to conference › Paper › peer-review

TY - CONF

T1 - Structure and dynamics of SI interstitials at SI(001) and SI(001)/SIO 2

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 atomic and electronic structures and diffusion behavior of Si interstitials at the clean and H-terminated Si(001) surface and at the c-Si/a-SiO 2 interface. We find that interstitials are significantly stabilized at the surfaces and interfaces. Along with structure and energetics, we analyze the bonding mechanisms of interstitials based on electron density and electron localization function topologies.

AB - Using density functional theory calculations within the generalized gradient approximation we have investigated the atomic and electronic structures and diffusion behavior of Si interstitials at the clean and H-terminated Si(001) surface and at the c-Si/a-SiO 2 interface. We find that interstitials are significantly stabilized at the surfaces and interfaces. Along with structure and energetics, we analyze the bonding mechanisms of interstitials based on electron density and electron localization function topologies.

UR - http://www.scopus.com/inward/record.url?scp=5744222781&partnerID=8YFLogxK

M3 - Paper

AN - SCOPUS:5744222781

SP - 112

EP - 119

T2 - Advanced Short-Time Thermal Processing for Si-Based CMOS Devices II - Proceedings of the International Symposium

Y2 - 10 May 2004 through 12 May 2004

ER -

Structure and dynamics of SI interstitials at SI(001) and SI(001)/SIO 2

Abstract

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Structure and dynamics of SI interstitials at SI(001) and SI(001)/SIO ₂