Simulations of molecular logic gates

Abstract

Here we propose four-terminal molecular devices as functional logic gates (AND, NOR and XOR, respectively). Such devices are composed of single organic molecule connected to gold electrodes and located in between gate terminals. Specifically, the operation principle of molecular logic gates is discussed in detail. The input signal of the gate voltages can modify the output signal of the current carried through the device (for concrete value of applied source-drain bias) to simulate classical (Boolean) logical operations. Calculational scheme for current-voltage (I-V) characteristics is based on the Landauer transport theory, where molecule is described with the help of tight-binding model, gold electrodes are treated within an effective Newns-Anderson theory and gate terminals are modeled as capacitor plates.