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Thermochemical Data for CVD Modeling from Ab initio Calculations

Published online by Cambridge University Press:  15 February 2011

Pauline Ho  and
Carl F. Melius
Pauline Ho
Affiliation:
Sandia National Laboratories, Albuquerque, NM 87185-0601
Carl F. Melius
Affiliation:
Sandia National Laboratories, Livermore, CA 94551-0969
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Abstract

Ab initio electronic-structure calculations are combined with empirical bond-additivity corrections to yield thermochemical properties of gas-phase molecules. A self-consistent set of heats of formation for molecules in the Si-H, Si-H-Cl, Si-H-F, Si-N-H and Si-NH- F systems is presented, along with preliminary values for some Si-O-C-H species.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 335: Symposium Y – Metal-Organic Chemical Vapor Deposition of Electronic Ceramics , 1993 , 131
Copyright
Copyright © Materials Research Society 1994

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