Abstract
Using nonequilibrium Green's functions in combination with density-functional theory, we investigate the electronic transport properties of oligo(phenylene ethynylene) (OPE) molecular devices attached to semiconductor electrodes. The results show that the properties of the electronic transport are different from those of the OPE molecular devices attached to metal electrodes. Negative differential resistance can be observed within a certain bias voltage range. A mechanism for the negative differential resistance is suggested.
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