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Ab-Initio Modeling of Arsenic Pile-Up and Deactivation at the Si/SiO2 Interface

Published online by Cambridge University Press:  01 February 2011

Naveen Gupta  and
Wolfgang Windl
Naveen Gupta
Affiliation:
[email protected], The Ohio State University, Materials Science and Engineering, Columbus, OH, 43210-1178, United States
Wolfgang Windl
Affiliation:
[email protected], The Ohio State University, Materials Science and Engineering, Columbus, OH, 43210-1178, United States
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Abstract

Two recent papers by Pei et al. and Steen et al. have shown that the observed pile-up of arsenic at Si/SiO2 interfaces surprisingly does not seem to involve point defects as a major factor, causes local distortions that strain the Si in the pile-up region locally, and that the segregated arsenic atoms are deep donors. In this paper, we use ab-initio modeling to study possible configurations for high As concentrations that may fulfill these criteria. We find for a simple model structure that As nearest neighbors become stable in Si in the vicinity of the interface. We also have stud-ied dopant deactivation using bulk-Si models. Even without invoking point defects explicitly and starting from a purely substitutional arrangement, we find that the energetically most favorable configurations are most stable in the neutral charge state, indicating that high enough concentra-tions of arsenic atoms make them electrically inactive and hence result in dopant dose loss.

Keywords

AsSisimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1070: Symposium E – Doping Engineering for Front-End Processing , 2008 , 1070-E06-03
Copyright
Copyright © Materials Research Society 2008

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