High-Performance Single-Electron Transistor Based on Metal–Organic Complex of Thiophene: First Principle Study

The ab initio perspective based on density functional theory and nonequilibrium Green's function for the modeling of single electron transistors (SETs) based on thiol-ended thiophene and chromium complex of thiol-ended thiophene and their functioning in the Coulomb blockade regime has been discussed. Both thiol-ended thiophene molecule and its chromium complex have been analyzed for the charge stability and conductance dependence on the gate voltage and source-drain bias. The charging energies for the isolated and SET environment for both the islands have been calculated and discussed. Also, the effect of orientation and the dielectric medium has been studied in order to increase the conductance of SET with the combination of a particular orientation and a dielectric medium. The effect of different electrodes on charge stability diagram has also been studied. The analysis shows a remarkably improved conductance for the chromium complex of thiol-ended thiophene molecule in the SET environment than the thiol-ended thiophene molecule in the SET environment resulting in a fast switching metal-organic SET.