This work presents a density functional theory (DFT) study of substitutional and adsorption-based halogen (I or F) doping of WS-based transistors to enhance their contact properties. Substitutional doping of the WS monolayer with halogens results in -type behavior, while halogen adsorption on the surface of the WS monolayer induces -type behavior. This is attributed to differing directions of charge flow, as supported by the Mulliken analysis.
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