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Spectroscopic Evidence for Near-Neighbor Bonded H(D) in A-Si:N:H(D) Thin Films

Published online by Cambridge University Press:  10 February 2011

G. Lucovsky ,
P. Santos-Filho ,
A. Banerjee  and
Z. Jing
G. Lucovsky
Affiliation:
Departments of Physics, Materials Science and Engineering and Electrical and Computer Engineering, North Carolina State University, Raleigh, NC 27695-8202, (gerryjucovsky@ncsu.edu)
P. Santos-Filho
Affiliation:
Departments of Physics, Materials Science and Engineering and Electrical and Computer Engineering, North Carolina State University, Raleigh, NC 27695-8202, (gerryjucovsky@ncsu.edu)
A. Banerjee
Affiliation:
Departments of Physics, Materials Science and Engineering and Electrical and Computer Engineering, North Carolina State University, Raleigh, NC 27695-8202, (gerryjucovsky@ncsu.edu)
Z. Jing
Affiliation:
Departments of Physics, Materials Science and Engineering and Electrical and Computer Engineering, North Carolina State University, Raleigh, NC 27695-8202, (gerryjucovsky@ncsu.edu)
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Abstract

Increases in the frequency of the silicon monohydride (Si-H) bond-stretching vibration in hydrogenated silicon nitrides, over and above what can be attributed to chemical induction effects, are shown to be generated by a repulsive interaction between the H-atom of the Si-H group, and a near-neighbor SiN-H group. This interaction increases the effective bond-stretching force constant of the H-atom of the Si-H group. This effect has been verified by ab-initio quantum chemistry calculations that have been used to calculate the energy of the H-atom of the Si-H group as a function of the relative separation between near-neighbor Si-H and SiN-H groups. Decreases in the bond-stretching frequencies of SiN-H groups in heavily hydrogenated nitrides are attributed to H-bonding effects associated with near-neighbor pairs of SiN-H groups.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 420: Symposium A – Amorphous Silicon Technology-1996 , 1996 , 503
Copyright
Copyright © Materials Research Society 1996

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