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In amorphous materials, acceptor and donor impurities rarely dope the system(shift the Fermi level). We find out why in a-Si:H. We report simulations on Band P doping of a-Si:H and a-Si. We analyze the Electronic Density of States(EDOS) with concentrations ranging from 1.6% to 12.5% of B or P in a-Si. Theresults indicate that tetrahedral B and P are effective doping configurationsin a-Si, but high impurity concentrations introduce defect states. Clustered Bor P also introduced mid-gap states. For a-Si:H, we report that both B(3,1) andP(3,1) (B or P atom bonded with three Si atoms and one H atom) are effectivedoping configurations. We investigate H passivation in both cases. There existsa "hydrogen poison range" for which H can modify the dopant configuration andsuppress doping. For B doping, nearby H prefers to stay at the bond-center ofSi-Si, leaves B four-fold and neutralizes the doping configuration; for Pdoping, nearby H spoils the doping by making tetrahedral P three-fold.

The electronic activity of boron and phosphorus impurities in a-Si and a-Si:H