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Spontaneous ionization of hydrogen atoms at the Si-SiO2 interface.

Journal Article · · Proposed for publication in Physical Review B.
OSTI ID:990012
We present a series of electronic structure calculations that demonstrate a mechanism for spontaneous ionization of hydrogen at the Si-SiO{sub 2} interface. Specifically, we show that an isolated neutral hydrogen atom will spontaneously give up its charge and bond to a threefold coordinated oxygen atom. We refer to this entity as a proton. We have calculated the potential surface and found it to be entirely attractive. In contrast, hydrogen molecules will not undergo an analogous reaction. We relate these calculations both to proton generation experiments and to hydrogen plasma experiments.
Research Organization:
Sandia National Laboratories
Sponsoring Organization:
USDOE
DOE Contract Number:
AC04-94AL85000;
OSTI ID:
990012
Report Number(s):
SAND2003-2369J
Journal Information:
Proposed for publication in Physical Review B., Journal Name: Proposed for publication in Physical Review B. Journal Issue: 12 Vol. 69; ISSN 1098-0121
Country of Publication:
United States
Language:
English

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