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The transport mechanisms of four-conjugated systems were comparatively studied by combining ATK and Gaussian 03 calculations.It was found that the charge-doped oligosilane behaved in a different way from the boron doped and phosphorus doped oligosilanes in terms of the transmission property.The charge-doped oligosilane showed almost no conductivity owing to the damage of the electron transfer path by charge-doping.By contrast,the boron doped and phosphorus doped oligosilanes were demonstrated to be good semiconductors and NDR behavior was observed for them.This is a reasonable result after the analysis of the transmission spectra,MPSH states,energy gap,conjugation effect,and scattering effect.
The transport mechanisms of four-conjugated systems were comparatively studied by combining ATK and Gaussian 03 calculations. It was found that the charge-doped oligosilane behaved in a different way from the boron doped and like doped oligosilanes in terms of the transmission property. Charge -doped oligosilane showed almost no conductivity due to the damage of the electron transfer path by charge-doping.By contrast, the boron doped and P doped oligosilanes were demonstrated to be good semiconductors and NDR behavior was observed for them. This is a reasonable result after the analysis of the transmission spectra, MPSH states, energy gap, conjugation effect, and scattering effect.