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Calculations of SiH3 Diffusion and Growth Processes on a-Si:H Surfaces

Published online by Cambridge University Press:  01 February 2011

P Vigneron ,
P W Peacock ,
K Xiong  and
J Robertson
P Vigneron
Affiliation:
Engineering Department, Cambridge University, Cambridge CB2 1PZ, UK
P W Peacock
Affiliation:
Engineering Department, Cambridge University, Cambridge CB2 1PZ, UK
K Xiong
Affiliation:
Engineering Department, Cambridge University, Cambridge CB2 1PZ, UK
J Robertson
Affiliation:
Engineering Department, Cambridge University, Cambridge CB2 1PZ, UK
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Abstract

Surface diffusion of a growth species is needed to give the observed smooth surface of hydrogenated amorphous silicon (a-Si:H). But what diffuses, the weakly bound SiH3 radical on the hydrogenated surface, or the bound SiH3 at a growth site. Diffusion is complicated by the change in the surface termination of a-Si:H as temperature rises. We use total energy pseudopotential calculations on a variety of periodic Si:H surface configurations to show that it is the weakly bound SiH3 that diffuses. We provide an overall energy scheme of the bound states and transport levels of SiH3 on a-Si:H surfaces.

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