Energetics of Interstitial Hydrogen and Hydrogen Diffusion in Realistic Models of a-Si:H

摘要

In order to determine the mechanism or mechanisms of hydrogen transport in a-Si:H one must identify the reactions that bring deeply bonded H (on dangling bonds) to the transport band which is some form of interstitial hydrogen. Further, one must have reliable estimates of the energy difference between these deep states and transport states as well as the barrier energies among transport sites. In this paper we consider all of these ingredients in order to partially explain how hydrogen migrates in a-Si:H.