Dual role of fluorine at the Si–SiO2 interface

Tsetseris, L.; Zhou, X. J.; Fleetwood, D. M.; Schrimpf, R. D.; Pantelides, S. T.
November 2004
Applied Physics Letters;11/22/2004, Vol. 85 Issue 21, p4950
Academic Journal
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.


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