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

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.


Published in:
Physics of Semiconductors, Pts A and B, 893, 195-196
Year:
2007
ISSN:
0094-243X
Laboratories:




 Record created 2009-10-08, last modified 2018-03-17


Rate this document:

Rate this document:
1
2
3
 
(Not yet reviewed)