The relationship between the structure, H coverage, morphology, and reactivity of plasma deposited hydrogenated amorphous silicon (a-Si:H) film surfaces was investigated using molecular-dynamics simulations. Surfaces of a-Si:H films grown with as the sole deposition precursor are found to be remarkably smooth due to a valley-filling mechanism where mobile precursors, such as and diffuse and react with dangling bonds in the valleys on the surface. Surface valleys are reactive due to the increased concentration of dangling bonds and decreased H coverage in these regions. The previously speculated physisorbed configuration, where is weakly bound to the surface through a H atom, is highly unlikely to be the mobile precursor state.
Evolution of structure, morphology, and reactivity of hydrogenated amorphous silicon film surfaces grown by molecular-dynamics simulation
Shyam Ramalingam, Saravanapriyan Sriraman, Eray S. Aydil, Dimitrios Maroudas; Evolution of structure, morphology, and reactivity of hydrogenated amorphous silicon film surfaces grown by molecular-dynamics simulation. Appl. Phys. Lett. 30 April 2001; 78 (18): 2685–2687. https://doi.org/10.1063/1.1367298
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