Journal
APPLIED PHYSICS LETTERS
Volume 85, Issue 21, Pages 4950-4952Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1825621
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Fluorine is known to have both a beneficial and adverse role on the characteristics of Si-SiO2-based devices. Here we report the results of first-principles calculations in terms of which we elucidate this dual behavior. On one hand, we find that Si-F interfacial bonds are resistant to depassivation by hydrogen species, with the process being shut down in the presence of holes. However, we also show that any excess of fluorine has a negative effect since it either creates stretched bonds, which can act as carrier traps, or disrupts an abrupt interface by cleavage of Si-Si bonds. (C) 2004 American Institute of Physics.
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