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Stability Of Silicon-Oxygen-Fluorine And Carbon-Fluorine LOW-K DIELECTRICS WITH RESPECT TO ATTACK BY WATER

Published online by Cambridge University Press:  10 February 2011

H. Yang  and
G. Lucovsky
H. Yang
Affiliation:
Department of Chemistry, Box 8204, [email protected], North Carolina State University, Raleigh, NC 27695
G. Lucovsky
Affiliation:
Department of Physics, Materials Science and Engineering and Electrical and Computer Engineering, Box 8202, [email protected], North Carolina State University, Raleigh, NC 27695
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Abstract

Ab initio configuration interaction calculations have been previously used to account for the relatively large decreases in the static dielectric constant of Si-O-F alloys with low alloy concentrations of F-atoms, ∼ 22%for F concentrations of ∼ 10 at.%. The present study addresses the stability of these alloy films and carbon-fluorine films with respect to attack of Si-F bonds or C-F bonds by water molecules. The present calculations show that the reaction: H20 + 2 Si-F - 2 HF + Si-O-Si is exothermic by about 0.7 eV. However, the reaction of H20 + 2 C-F - 2 HF + CO-C is calculated to be endothermic by 1.6 eV. Our calculations focus on the reaction energetics and geometries as a function of the distance between the F-atoms of the Si-F and C-F groups and water molecule.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 511: Symposium E – Low Dielectric Constant Materials IV , 1998 , 371
Copyright
Copyright © Materials Research Society 1998

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References

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