Analysis of Molecular Single-Electron Transistors Using Silicene, Graphene and Germanene
By using Ab initio approach, we have analysed Silicene-, Germanene- and Graphene-based molecular single-electron transistors. It is based on non-equilibrium greens function (NGEF) and density functional theory (DFT). Three different fullerene molecules are taken and optimization is done. In Coulomb blockade regime, silicene, germanene and graphene are kept above gate dielectric between drain and source for weak coupling. We have taken gold electrodes for SET environment. Gold is widely used as metal electrode in nanoscale devices. We have calculated the HOMO and LUMO values and total energy versus gate voltage. Charge stability diagrams are obtained by calculating charging energy as function of external gate potential. By these calculations, the analysis of three different molecular single-electron transistors is done. The total energies of these molecules are highly negative (very low) compared to other molecules.
KeywordsSingle-electron transistor (SET) Graphene Silicene Germanene Ab initio Density functional theory (DFT) Non-equilibrium greens function (NEGF) and GGA-PBE
The authors thank the department of science and technology of the government of India for partially funding this work.
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