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  4. Protons at the Si-SiO2 interface: a first principle investigation
 
research article

Protons at the Si-SiO2 interface: a first principle investigation

Godet, J.
•
Pasquarello, Alfredo  
2007
Microelectronic Engineering

We studied protons attached to bridging O atoms in the vicinity of the Si(100)-SiO2 interface through density-functional calculations for realistic interface models. These protons do not disrupt the bonding network except in the case of strained SiO bonds for which they lead to the formation of positively charged threefold coordinated Si(3)(+). Defect energies mainly fall within a band of similar to 0.5 eV, which is stabilized by similar to 0.3 eV at the interface, the energies of the Si(3)(+) defects lying at the bottom of this band. Hence, this work indicates that bridging O atoms in the vicinity of the interface can act as shallow proton traps and describes a mechanism for bond-rearrangements leading to Si(3)(+). These results are consistent with experimental observations.

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Type
research article
DOI
10.1016/j.mee.2007.04.122
Web of Science ID

WOS:000247378600046

Author(s)
Godet, J.
Pasquarello, Alfredo  
Date Issued

2007

Published in
Microelectronic Engineering
Volume

84

Issue

9-10

Start page

2035

End page

2038

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
October 8, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/43529
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