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  4. Proton diffusion in amorphous SiO2 and hafnium silicate by Ab Initio molecular dynamics
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conference paper

Proton diffusion in amorphous SiO2 and hafnium silicate by Ab Initio molecular dynamics

Godet, J.
•
Pasquarello, Alfredo  
2007
Physics of Semiconductors, Pts A and B
PHYSICS OF SEMICONDUCTORS: 28th International Conference on the Physics of Semiconductors - ICPS 2006

We study proton diffusion in amorphous SiO2 and hafnium silicates at the atomic scale. In amorphous SiO2, ab initio molecular dynamics suggest that the dominant atomic process consists in cross-ring interoxygen hopping assisted by network vibrations. In hafnium silicates, we find that the proton localizes on O atoms bonded to Hf atoms, in accord with our static total-energy calculations. These results imply that in stacked gate oxides the proton preferentially localizes within the high-kappa oxide rather than within the SiO2 interlayer.

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Type
conference paper
DOI
10.1063/1.2729836
Web of Science ID

WOS:000246281800096

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

2007

Published in
Physics of Semiconductors, Pts A and B
ISBN of the book

978-0-7354-0397-0

Series title/Series vol.

AIP Conference Proceedings; 893

Start page

195

End page

196

Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Event nameEvent placeEvent date
PHYSICS OF SEMICONDUCTORS: 28th International Conference on the Physics of Semiconductors - ICPS 2006

Vienna (Austria)

24-28 July 2006

Available on Infoscience
October 8, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/43528
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