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Theoretical Investigation of Nitrogen-Doping Effect on Native Defect Aggregation Processes in Silicon

Published online by Cambridge University Press:  01 February 2011

H. Kageshima,
A. Taguchi and
K. Wada
H. Kageshima
Affiliation:
NTT Basic Research Labs., NTT Corporation, Atsugi, Kanagawa 243-0198 Japan.
A. Taguchi
Affiliation:
NTT Basic Research Labs., NTT Corporation, Atsugi, Kanagawa 243-0198 Japan.
K. Wada
Affiliation:
Massachusetts Institute of Technology, Cambridge, Massachusetts, USA
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Abstract

We theoretically investigated interactions between nitrogen (N) atoms and Si native defects, vacancy (V) and interstitial (I), by using first-principles calculations in order to shed light on the nitrogen-doping effect on the defect aggregation processes. Stabilities of various N-I and N-V complexes are examined by calculating the total energy. We found that N atoms form stable complexes with both of V and I. The formation of such stable complexes reduces the effective concentrations of the native defects, resulting in the suppression of aggregation processes of V and I.

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