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First Principles Study of Aluminum Deposition on Hydrogenterminated Si(100) Surface

Published online by Cambridge University Press:  22 February 2011

Carlos Sosa
Carlos Sosa*
Affiliation:
Cray Research, Inc., 655 E lone Oak Dr., Eagan, MN 55121
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Abstract

The deposition of Aluminum on Si(100) surface has been investigated using density functional methods. This has been accomplished by adoption of a Si9H16 cluster to model the H terminated Si(100) 1XI surface and Si9H15 cluster to model the surface with an unpaired electron. The predicted NLSD dissociation energy for the Si9H16 → Si9H15 + H is 86.3 ± 2.0 Kcal/Mol. This is in agreement with previous theoretical calculations on similar systems.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 334: Symposium W – Gas-Phase and Surface Chemistry in Electronic Materials Processing , 1993 , 289
Copyright
Copyright © Materials Research Society 1994

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