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Capturing Properties of Two-Fold Coordinated Nitrogen Atom in Silicon Oxynitride

Published online by Cambridge University Press:  10 February 2011

YU.N. Novikov ,
YU.N. Morokov ,
V.A. Gritsenko  and
J.B. Xu
YU.N. Novikov
Affiliation:
Institute of Semiconductor of Physics, Novosibirsk, 630090, Russia, nov@isp.nsc.ru
YU.N. Morokov
Affiliation:
Institute of Computational Technologies, Novosibirsk, 630090, Russia
V.A. Gritsenko
Affiliation:
Institute of Semiconductor of Physics, Novosibirsk, 630090, Russia, nov@isp.nsc.ru
J.B. Xu
Affiliation:
Department of Electronic Engineering, The Chinese University of Hong Kong, Shatin, New Territories, Hong Kong
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Abstract

Electronic structure of two-fold coordinated nitrogen atom ≡Si2N• in Si3N4 and SiOxNy is studied in different charged states by the semiempirical quantum-chemical method MINDO/3 taking into account an atomic relaxation. It is shown theoretically that the neutral paramagnetic defect ≡Si2N• captures an electron, therefore it is an electron trap in Si3N4 and SiOxNy. The calculations show that the capturing of hole by the ≡Si2N• defect can be energetically favorable only for large oxygen concentration in oxynitride. It is predicted that the electron localization by the ≡Si2N• defect will result in the ESR signal disappearance.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 567: Symposium R – Ultrathin SiO2 and Higg-K Materials for ULSI Gate Dielectrics , 1999 , 141
Copyright
Copyright © Materials Research Society 1999

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References

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