Physics – Condensed Matter – Disordered Systems and Neural Networks
Scientific paper
2011-05-08
Physics
Condensed Matter
Disordered Systems and Neural Networks
submitted to MRS proceeding
Scientific paper
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 B and 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. The results indicate that tetrahedral B and P are effective doping configurations in a-Si, but high impurity concentrations introduce defect states. Clustered B or P also introduced mid-gap states. For a-Si:H, we report that both B(3,1) and P(3,1) (B or P atom bonded with three Si atoms and one H atom) are effective doping configurations. We investigate H passivation in both cases. There exists a "hydrogen poison range" for which H can modify the dopant configuration and suppress doping. For B doping, nearby H prefers to stay at the bond-center of Si-Si, leaves B four-fold and neutralizes the doping configuration; for P doping, nearby H spoils the doping by making tetrahedral P three-fold.
Cai Bin
Drabold David A.
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