Electronic Properties Simulation of Guanine Molecule

This work studies, theoretically, electronic properties of DNA-based guanine molecule. General formula for the transmission probability for electron transfer through Guanine Molecule is derived. Guanine molecule is assumed to be as one active region connected between two leads. In the transmission calculation, three different locations of the onsite energy were noticed due to the change of the gate voltages applied on the molecule. Also, the (I-V) curve characteristics of Guanine was obtained by using tight binding model and steady state. The current as a function of gate voltage, that is varying between -4 to 4 eV, is also investigated. It is found that the current arises and vanishes at different gate voltage values to show gate switching states. Further, the relationship between different gate voltage values and different bias voltage values was presented to show the logic gate behavior. Moreover, conductance as a function of temperature study was stated. It shows two current behaviors, independent and strong dependence on temperature value, that changes the leads energy. These properties can be effectively used for molecular electronic devices.