Hole-mobility-limiting atomic structures in hydrogenated amorphous silicon

Low hole mobility currently limits the efficiency of amorphous silicon photovoltaic devices. We explore three possible phenomena contributing to this low mobility: coordination defects, self-trapping ionization displacement defects, and lattice expansion allowing for hole wave-function delocalization. Through a confluence of experimental and first-principles investigations, we demonstrate the fluidity of the relative prevalence of these defects as film stress and hydrogen content are modified, and that the mobility of a film is governed by an interplay between various defect types.