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research article

Alignment of hydrogen-related defect levels at the Si-SiO2 interface

Alkauskas, A.
•
Pasquarello, Alfredo  
2007
Physica B: Condensed Matter

We propose a method within density functional theory for aligning defect energy levels at interfaces without relying on experimental data. We apply our scheme to the alignment of charge transition levels of the interstitial hydrogen and the hydrogen bridge defect (-Si-H-Si-) at the Si-SiO2 interface. We find that the +/- charge transition level of the interstitial hydrogen is located in the upper part of the silicon band gap. The defect level alignment obtained in our scheme supports that the hydrogen bridge defect may play an important role in stress-induced leakage current generation, as proposed previously. (c) 2007 Elsevier B.V. All rights reserved.

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Type
research article
DOI
10.1016/j.physb.2007.09.018
Web of Science ID

WOS:000252041000129

Author(s)
Alkauskas, A.
Pasquarello, Alfredo  
Date Issued

2007

Published in
Physica B: Condensed Matter
Volume

401

Start page

546

End page

549

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/20.500.14299/43512
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