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Behavior of Si Interstitials and Boron-Interstitial Pairs at the Si/SiO2 Interface

Published online by Cambridge University Press:  17 March 2011

Taras A. Kirichenko ,
Decai Yu ,
Sanjay K. Banerjee  and
Gyeong S. Hwang
Taras A. Kirichenko
Affiliation:
Microelectronics Research Center, University of Texas, Austin, Texas 78712
Decai Yu
Affiliation:
Department of Chemical Engineering, University of Texas, Austin, Texas 78713
Sanjay K. Banerjee
Affiliation:
Microelectronics Research Center, University of Texas, Austin, Texas 78712
Gyeong S. Hwang
Affiliation:
Department of Chemical Engineering, University of Texas, Austin, Texas 78713
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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 810: Symposium C – Silicon Front-End Junction Formation-Physics and Technology , 2004 , C8.5
Copyright
Copyright © Materials Research Society 2004

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