Ab initio study of charged states of H in amorphous SiO2

We carried out an ab initio investigation of the charged states of hydrogen in amorphous SiO2 using a previously generated model structure. We found a large variety of equilibrium configurations as a result of the disordered atomic structure in our model system. The formation energies of H-0, H+ and H- remain nevertheless close to the energetics found for a-quartz, with the charged species always more stable than the neutral one irrespective of the electron Fermi level.


Published in:
Microelectronic Engineering, 80, 288-291
Year:
2005
ISSN:
0167-9317
Other identifiers:
Laboratories:




 Record created 2009-10-08, last modified 2018-09-13


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