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First-Principles Investigations of Hydrogen and Fluorine on Silicon Surfaces

Published online by Cambridge University Press:  25 February 2011

Chris G. Van De Walle
Chris G. Van De Walle*
Affiliation:
Xerox PARC, 3333 Coyote Hill Road, Palo Alto, CA 94304
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Abstract

State-of-the-art first-principles calculations allow detailed studies of the mechanisms by which hydrogen and fluorine interact with silicon. The results for hydrogen are presented in the form of an energy diagram which includes many different configurations. The theoretical values allow a discussion of issues such as hydrogen solubility, and desorption from a Si surface. For fluorine, we investigate the behavior as an interstitial impurity in the bulk, as well as Si-F interactions at or near the surface. A study of the insertion of F atoms into Si-Si bonds elucidates the microscopic mechanisms of etching, and the dependence of etch rate on doping. Thermodynamic aspects of HF etching are briefly discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 259: Symposium B – Chemical Surface Preparation, Passivation and Cleaning for Semiconductor Growth and Processing , 1992 , 375
Copyright
Copyright © Materials Research Society 1992

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References

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