Conception of integrated hybrid technology: CMOS-molecular electronic

Numerical simulations have been performed to study the influences of the geometric and coupling-strength parameters such as the intermolecular distance d and pi-orbital on the current-voltage (I-V) characteristics. The model involves 1,4-dithiolbenzene (DTB) molecules stacked in one dimension (1D) ordered structure. It is found that the conductance gap (CG) depends on the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) gap (HLG). The number of molecules N associated with their intermolecular distance d can significantly modify the HLG which has a strong effect on the conductance gap of the I-V characteristics. The HLG is reduced when decreasing the intermolecular distance d and increasing the number of DTB molecular units N. These studies could be useful to introduce a new concept of design rules for molecular wire. Based on the numerical simulation results, two parameters could be defined as geometrical specification for future molecular layout design rules (DRs), the minimum spacing d between two adjacent molecular units and the number of molecular units N packed in the parallel arrangement. The objective is to implement molecular scale electronic devices based on thiophenyl to extend CMOS technology. This implies the development of electronic hybrid technology in which the components nano and micro come close to each other.