Transport engineering design of AND and NOR gates with a 1,4-2-phenyl-dithiolate molecule

Abstract

We have explored logical AND and NOR gate responses of a 1,4-2-phenyl-dithiolate molecule threaded by a magnetic flux ϕ in two-terminal junctions by using the Green's function method in the framework of a nearest-neighbor tight-binding approximation. Here, we put emphasis on the logical gate voltages, and obtain the electrical transmission and current-voltage characteristics with metal-molecule-metal (m-M-m) tunnel junctions. The hopping integral among two neighboring atoms in the molecule was quantitatively estimated by means of density functional theory (DFT) calculations. Our results show that the AND and NOR responses are explored through our molecular junction for a typical value of the magnetic flux. The numerical results may shed light on the next applications of molecular systems and make them a good, promising candidate for field-effect transistors.